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

13
Patents

143.05824 Da
Monoisotopic Mass

-0.4
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

No literature data available for this compound.

Patent stripe

patents stripe