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]+ 299.19655 173.0
[M+Na]+ 321.17849 174.4
[M-H]- 297.18199 174.0
[M+NH4]+ 316.22309 178.1
[M+K]+ 337.15243 176.5
[M+H-H2O]+ 281.18653 159.8
[M+HCOO]- 343.18747 182.9
[M+CH3COO]- 357.20312 203.4
[M+Na-2H]- 319.16394 171.3
[M]+ 298.18872 178.7
[M]- 298.18982 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.