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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.