CID 167740686

1-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}methyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C15H26N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2CC(C2)C(=O)O
InChI
InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-6-4-11(5-7-17)8-16-9-12(10-16)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKey
XRMMPPMJQPUXNP-UHFFFAOYSA-N
Compound name
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.18927 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.196546 173.0
[M+Na]+ 321.178488 174.4
[M-H]- 297.181994 174.0
[M+NH4]+ 316.223093 178.1
[M+K]+ 337.152428 176.5
[M+H-H2O]+ 281.186530 159.8
[M+HCOO]- 343.187471 182.9
[M+CH3COO]- 357.203121 203.4
[M+Na-2H]- 319.163936 171.3
[M]+ 298.18872142 178.7
[M]- 298.18981858 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.