CID 62504686

[2-(aminomethyl)-4-methylpentyl]benzene

Structural Information

Molecular Formula
C13H21N
SMILES
CC(C)CC(CC1=CC=CC=C1)CN
InChI
InChI=1S/C13H21N/c1-11(2)8-13(10-14)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10,14H2,1-2H3
InChIKey
YZHFPIKWVSXTHY-UHFFFAOYSA-N
Compound name
2-benzyl-4-methylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.174676 148.2
[M+Na]+ 214.156618 152.5
[M-H]- 190.160124 150.5
[M+NH4]+ 209.201223 167.1
[M+K]+ 230.130558 150.1
[M+H-H2O]+ 174.164660 141.7
[M+HCOO]- 236.165601 169.8
[M+CH3COO]- 250.181251 189.3
[M+Na-2H]- 212.142066 150.9
[M]+ 191.16685142 146.4
[M]- 191.16794858 146.4
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

patents stripe