CID 66327

2-cyclohexylidene-2-phenylacetonitrile

Structural Information

Molecular Formula
C14H15N
SMILES
C1CCC(=C(C#N)C2=CC=CC=C2)CC1
InChI
InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
ZHOOOLQOWQVYOE-UHFFFAOYSA-N
Compound name
2-cyclohexylidene-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1437
Patents

197.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 148.9
[M+Na]+ 220.10967 155.7
[M-H]- 196.11317 153.4
[M+NH4]+ 215.15427 165.5
[M+K]+ 236.08361 149.6
[M+H-H2O]+ 180.11771 135.6
[M+HCOO]- 242.11865 165.0
[M+CH3COO]- 256.13430 195.6
[M+Na-2H]- 218.09512 152.3
[M]+ 197.11990 137.8
[M]- 197.12100 137.8
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