CID 20431059

38409-70-0

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC(=O)NC1(CC1)C(=O)O
InChI
InChI=1S/C6H9NO3/c1-4(8)7-6(2-3-6)5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
UMSVVEDRQXFLLM-UHFFFAOYSA-N
Compound name
1-acetamidocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

143.05824 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 128.1
[M+Na]+ 166.047458 136.8
[M-H]- 142.050964 131.9
[M+NH4]+ 161.092063 145.5
[M+K]+ 182.021398 135.8
[M+H-H2O]+ 126.055500 124.0
[M+HCOO]- 188.056441 150.5
[M+CH3COO]- 202.072091 176.2
[M+Na-2H]- 164.032906 134.2
[M]+ 143.05769142 130.1
[M]- 143.05878858 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe