CID 67367311

Schembl2333379

Structural Information

Molecular Formula
C15H17N
SMILES
CC1=CC=CC=C1C(=C2CCCCC2)C#N
InChI
InChI=1S/C15H17N/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h5-7,10H,2-4,8-9H2,1H3
InChIKey
BDIZOKISHHUZPI-UHFFFAOYSA-N
Compound name
2-cyclohexylidene-2-(2-methylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

290
Patents

211.1361 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 152.4
[M+Na]+ 234.12532 159.7
[M-H]- 210.12882 157.2
[M+NH4]+ 229.16992 168.9
[M+K]+ 250.09926 153.5
[M+H-H2O]+ 194.13336 139.2
[M+HCOO]- 256.13430 168.3
[M+CH3COO]- 270.14995 199.3
[M+Na-2H]- 232.11077 154.8
[M]+ 211.13555 142.1
[M]- 211.13665 142.1
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