CID 50989025

1-(methylcarbamoyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
CNC(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C6H9NO3/c1-7-4(8)6(2-3-6)5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
ZHKJJVGESBQQBR-UHFFFAOYSA-N
Compound name
1-(methylcarbamoyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

143.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.1
[M+Na]+ 166.04746 136.8
[M-H]- 142.05096 131.9
[M+NH4]+ 161.09206 145.5
[M+K]+ 182.02140 135.8
[M+H-H2O]+ 126.05550 124.0
[M+HCOO]- 188.05644 150.5
[M+CH3COO]- 202.07209 176.2
[M+Na-2H]- 164.03291 134.2
[M]+ 143.05769 130.1
[M]- 143.05879 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

No literature data available for this compound.

Patent stripe

patents stripe