CID 62096948

1-(dimethylcarbamoyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CN(C)C(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-8(2)5(9)7(3-4-7)6(10)11/h3-4H2,1-2H3,(H,10,11)
InChIKey
PUGDEACANJGZAI-UHFFFAOYSA-N
Compound name
1-(dimethylcarbamoyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

157.0739 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.4
[M+Na]+ 180.063118 140.9
[M-H]- 156.066624 137.4
[M+NH4]+ 175.107723 149.9
[M+K]+ 196.037058 140.9
[M+H-H2O]+ 140.071160 128.1
[M+HCOO]- 202.072101 155.0
[M+CH3COO]- 216.087751 182.5
[M+Na-2H]- 178.048566 137.3
[M]+ 157.07335142 136.0
[M]- 157.07444858 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