CID 21866332

1-[(tert-butoxy)carbonyl]-2-methylazetidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC1(CCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-6-5-10(11,4)7(12)13/h5-6H2,1-4H3,(H,12,13)
InChIKey
HFEGSFBKYUXELG-UHFFFAOYSA-N
Compound name
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

215.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.123026 150.5
[M+Na]+ 238.104968 155.8
[M-H]- 214.108474 151.5
[M+NH4]+ 233.149573 162.8
[M+K]+ 254.078908 159.1
[M+H-H2O]+ 198.113010 141.4
[M+HCOO]- 260.113951 166.2
[M+CH3COO]- 274.129601 187.5
[M+Na-2H]- 236.090416 153.5
[M]+ 215.11520142 160.6
[M]- 215.11629858 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