CID 260932

2-{bicyclo[2.2.1]heptan-2-yl}acetonitrile

Structural Information

Molecular Formula
C9H13N
SMILES
C1CC2CC1CC2CC#N
InChI
InChI=1S/C9H13N/c10-4-3-9-6-7-1-2-8(9)5-7/h7-9H,1-3,5-6H2
InChIKey
KZBGLYZJWBLKLA-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

135.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 131.5
[M+Na]+ 158.09402 141.6
[M-H]- 134.09752 134.2
[M+NH4]+ 153.13862 156.0
[M+K]+ 174.06796 136.5
[M+H-H2O]+ 118.10206 120.7
[M+HCOO]- 180.10300 149.7
[M+CH3COO]- 194.11865 187.0
[M+Na-2H]- 156.07947 135.4
[M]+ 135.10425 125.2
[M]- 135.10535 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe