CID 88978883

1-cyano-2,2-dimethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1(CC1(C#N)C(=O)O)C
InChI
InChI=1S/C7H9NO2/c1-6(2)3-7(6,4-8)5(9)10/h3H2,1-2H3,(H,9,10)
InChIKey
JASPGQAZRAUKQJ-UHFFFAOYSA-N
Compound name
1-cyano-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 125.9
[M+Na]+ 162.05254 142.7
[M-H]- 138.05604 132.4
[M+NH4]+ 157.09714 146.1
[M+K]+ 178.02648 138.1
[M+H-H2O]+ 122.06058 120.0
[M+HCOO]- 184.06152 146.0
[M+CH3COO]- 198.07717 187.9
[M+Na-2H]- 160.03799 134.6
[M]+ 139.06277 126.7
[M]- 139.06387 126.7
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