CID 487834

Benzenemethanamine, n-(1,3-dimethylbutyl)-

Structural Information

Molecular Formula
C13H21N
SMILES
CC(C)CC(C)NCC1=CC=CC=C1
InChI
InChI=1S/C13H21N/c1-11(2)9-12(3)14-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKey
JFQMTBSPRNVCJU-UHFFFAOYSA-N
Compound name
N-benzyl-4-methylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

191.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 147.6
[M+Na]+ 214.15662 151.9
[M-H]- 190.16012 150.5
[M+NH4]+ 209.20122 166.8
[M+K]+ 230.13056 149.9
[M+H-H2O]+ 174.16466 141.1
[M+HCOO]- 236.16560 169.8
[M+CH3COO]- 250.18125 190.0
[M+Na-2H]- 212.14207 151.4
[M]+ 191.16685 146.9
[M]- 191.16795 146.9
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