CID 55300456

Chebi:231539

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC(=O)N1CC[C@H]1C(=O)O
InChI
InChI=1S/C6H9NO3/c1-4(8)7-3-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m0/s1
InChIKey
KGMNLCHUEVFDHL-YFKPBYRVSA-N
Compound name
(2S)-1-acetylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

143.05824 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 128.5
[M+Na]+ 166.047458 134.3
[M-H]- 142.050964 129.5
[M+NH4]+ 161.092063 141.4
[M+K]+ 182.021398 137.3
[M+H-H2O]+ 126.055500 117.9
[M+HCOO]- 188.056441 146.8
[M+CH3COO]- 202.072091 175.2
[M+Na-2H]- 164.032906 131.5
[M]+ 143.05769142 136.0
[M]- 143.05878858 136.0
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