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]+ 202.15903 147.4
[M+Na]+ 224.14097 152.1
[M-H]- 200.14447 152.8
[M+NH4]+ 219.18557 167.5
[M+K]+ 240.11491 148.4
[M+H-H2O]+ 184.14901 140.4
[M+HCOO]- 246.14995 169.4
[M+CH3COO]- 260.16560 186.5
[M+Na-2H]- 222.12642 153.7
[M]+ 201.15120 142.2
[M]- 201.15230 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.