CID 21866332

449758-77-4

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

42
Patents

215.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 152.5
[M+Na]+ 238.10497 155.9
[M+NH4]+ 233.14957 154.8
[M+K]+ 254.07891 154.0
[M-H]- 214.10847 146.9
[M+Na-2H]- 236.09042 152.5
[M]+ 215.11520 150.0
[M]- 215.11630 150.0
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