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]+ 192.17468 146.6
[M+Na]+ 214.15662 152.1
[M-H]- 190.16012 149.8
[M+NH4]+ 209.20122 166.2
[M+K]+ 230.13056 149.7
[M+H-H2O]+ 174.16466 140.3
[M+HCOO]- 236.16560 169.8
[M+CH3COO]- 250.18125 190.3
[M+Na-2H]- 212.14207 151.0
[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

No patent data available for this compound.