CID 131351253

(1-benzylcyclohex-2-en-1-yl)methanamine

Structural Information

Molecular Formula
C14H19N
SMILES
C1CC=CC(C1)(CC2=CC=CC=C2)CN
InChI
InChI=1S/C14H19N/c15-12-14(9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1,3-5,7-9H,2,6,10-12,15H2
InChIKey
BLZPWHGINJSPBI-UHFFFAOYSA-N
Compound name
(1-benzylcyclohex-2-en-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 147.4
[M+Na]+ 224.140968 152.1
[M-H]- 200.144474 152.8
[M+NH4]+ 219.185573 167.5
[M+K]+ 240.114908 148.4
[M+H-H2O]+ 184.149010 140.4
[M+HCOO]- 246.149951 169.4
[M+CH3COO]- 260.165601 186.5
[M+Na-2H]- 222.126416 153.7
[M]+ 201.15120142 142.2
[M]- 201.15229858 142.2
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.