CID 16772752

926252-13-3

Structural Information

Molecular Formula
C13H21N
SMILES
CC(C)CC1=CC=C(C=C1)C(C)NC
InChI
InChI=1S/C13H21N/c1-10(2)9-12-5-7-13(8-6-12)11(3)14-4/h5-8,10-11,14H,9H2,1-4H3
InChIKey
RPPIZVWRNHDAHT-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 146.9
[M+Na]+ 214.15662 158.5
[M+NH4]+ 209.20122 155.8
[M+K]+ 230.13056 151.7
[M-H]- 190.16012 150.1
[M+Na-2H]- 212.14207 153.4
[M]+ 191.16685 149.5
[M]- 191.16795 149.5
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.