CID 214390

N,n,3-trimethyl-2-phenylbutan-1-amine

Structural Information

Molecular Formula
C13H21N
SMILES
CC(C)C(CN(C)C)C1=CC=CC=C1
InChI
InChI=1S/C13H21N/c1-11(2)13(10-14(3)4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKey
GMBJYHKHRNMJRV-UHFFFAOYSA-N
Compound name
N,N,3-trimethyl-2-phenylbutan-1-amine
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]+ 192.174676 147.3
[M+Na]+ 214.156618 151.8
[M-H]- 190.160124 151.7
[M+NH4]+ 209.201223 167.1
[M+K]+ 230.130558 151.2
[M+H-H2O]+ 174.164660 140.6
[M+HCOO]- 236.165601 170.0
[M+CH3COO]- 250.181251 193.6
[M+Na-2H]- 212.142066 150.3
[M]+ 191.16685142 147.9
[M]- 191.16794858 147.9
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.