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

8
Patents

157.0739 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.4
[M+Na]+ 180.06312 140.9
[M-H]- 156.06662 137.4
[M+NH4]+ 175.10772 149.9
[M+K]+ 196.03706 140.9
[M+H-H2O]+ 140.07116 128.1
[M+HCOO]- 202.07210 155.0
[M+CH3COO]- 216.08775 182.5
[M+Na-2H]- 178.04857 137.3
[M]+ 157.07335 136.0
[M]- 157.07445 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