CID 137698584

1-benzylcyclohex-2-ene-1-carbonitrile

Structural Information

Molecular Formula
C14H15N
SMILES
C1CC=CC(C1)(CC2=CC=CC=C2)C#N
InChI
InChI=1S/C14H15N/c15-12-14(9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1,3-5,7-9H,2,6,10-11H2
InChIKey
HFLLXSCNUFVJMQ-UHFFFAOYSA-N
Compound name
1-benzylcyclohex-2-ene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 148.2
[M+Na]+ 220.10967 157.1
[M-H]- 196.11317 153.4
[M+NH4]+ 215.15427 167.0
[M+K]+ 236.08361 150.6
[M+H-H2O]+ 180.11771 135.3
[M+HCOO]- 242.11865 166.5
[M+CH3COO]- 256.13430 159.3
[M+Na-2H]- 218.09512 154.6
[M]+ 197.11990 140.1
[M]- 197.12100 140.1
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.