CID 485395

N-benzylhexan-1-amine

Structural Information

Molecular Formula
C13H21N
SMILES
CCCCCCNCC1=CC=CC=C1
InChI
InChI=1S/C13H21N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChIKey
VFZWCTYGZWDQGK-UHFFFAOYSA-N
Compound name
N-benzylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

371
Patents

191.1674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 146.2
[M+Na]+ 214.15662 151.0
[M-H]- 190.16012 148.8
[M+NH4]+ 209.20122 165.5
[M+K]+ 230.13056 148.0
[M+H-H2O]+ 174.16466 139.5
[M+HCOO]- 236.16560 170.4
[M+CH3COO]- 250.18125 188.4
[M+Na-2H]- 212.14207 152.6
[M]+ 191.16685 146.8
[M]- 191.16795 146.8
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