CID 53234194

1-[(tert-butoxy)carbonyl]-3-methylazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-5-10(4,6-11)7(12)13/h5-6H2,1-4H3,(H,12,13)
InChIKey
FNWBDXQPGAIDQH-UHFFFAOYSA-N
Compound name
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

215.11575 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 150.5
[M+Na]+ 238.10497 155.8
[M-H]- 214.10847 151.5
[M+NH4]+ 233.14957 162.8
[M+K]+ 254.07891 159.1
[M+H-H2O]+ 198.11301 141.4
[M+HCOO]- 260.11395 166.2
[M+CH3COO]- 274.12960 187.5
[M+Na-2H]- 236.09042 153.5
[M]+ 215.11520 160.6
[M]- 215.11630 160.6
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

patents stripe