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]+ 166.086256 139.7
[M+Na]+ 188.068198 150.3
[M-H]- 164.071704 141.6
[M+NH4]+ 183.112803 164.1
[M+K]+ 204.042138 144.5
[M+H-H2O]+ 148.076240 129.8
[M+HCOO]- 210.077181 156.1
[M+CH3COO]- 224.092831 187.7
[M+Na-2H]- 186.053646 143.1
[M]+ 165.07843142 133.3
[M]- 165.07952858 133.3
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.