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

10
Patents

143.05824 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.5
[M+Na]+ 166.04746 134.3
[M-H]- 142.05096 129.5
[M+NH4]+ 161.09206 141.4
[M+K]+ 182.02140 137.3
[M+H-H2O]+ 126.05550 117.9
[M+HCOO]- 188.05644 146.8
[M+CH3COO]- 202.07209 175.2
[M+Na-2H]- 164.03291 131.5
[M]+ 143.05769 136.0
[M]- 143.05879 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