CID 204291

N-methyl-1-(4-propylphenyl)propan-2-amine

Structural Information

Molecular Formula
C13H21N
SMILES
CCCC1=CC=C(C=C1)CC(C)NC
InChI
InChI=1S/C13H21N/c1-4-5-12-6-8-13(9-7-12)10-11(2)14-3/h6-9,11,14H,4-5,10H2,1-3H3
InChIKey
IIRAUZQVFXYSCK-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-propylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.174676 146.6
[M+Na]+ 214.156618 152.1
[M-H]- 190.160124 149.8
[M+NH4]+ 209.201223 166.2
[M+K]+ 230.130558 149.7
[M+H-H2O]+ 174.164660 140.3
[M+HCOO]- 236.165601 169.8
[M+CH3COO]- 250.181251 190.3
[M+Na-2H]- 212.142066 151.0
[M]+ 191.16685142 146.9
[M]- 191.16794858 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

No patent data available for this compound.