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

4
Patents

139.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 125.9
[M+Na]+ 162.052538 142.7
[M-H]- 138.056044 132.4
[M+NH4]+ 157.097143 146.1
[M+K]+ 178.026478 138.1
[M+H-H2O]+ 122.060580 120.0
[M+HCOO]- 184.061521 146.0
[M+CH3COO]- 198.077171 187.9
[M+Na-2H]- 160.037986 134.6
[M]+ 139.06277142 126.7
[M]- 139.06386858 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