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]+ 198.127726 148.2
[M+Na]+ 220.109668 157.1
[M-H]- 196.113174 153.4
[M+NH4]+ 215.154273 167.0
[M+K]+ 236.083608 150.6
[M+H-H2O]+ 180.117710 135.3
[M+HCOO]- 242.118651 166.5
[M+CH3COO]- 256.134301 159.3
[M+Na-2H]- 218.095116 154.6
[M]+ 197.11990142 140.1
[M]- 197.12099858 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.