CID 104175346

2-cyanobicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CC2CC1CC2(C#N)C(=O)O
InChI
InChI=1S/C9H11NO2/c10-5-9(8(11)12)4-6-1-2-7(9)3-6/h6-7H,1-4H2,(H,11,12)
InChIKey
YIRDUCFXOPSMIV-UHFFFAOYSA-N
Compound name
2-cyanobicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 136.5
[M+Na]+ 188.06820 143.9
[M+NH4]+ 183.11280 142.6
[M+K]+ 204.04214 137.8
[M-H]- 164.07170 128.4
[M+Na-2H]- 186.05365 136.3
[M]+ 165.07843 134.2
[M]- 165.07953 134.2
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

No patent data available for this compound.