CID 2806688

2-(2,3,4,5,6-pentamethylphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H21N
SMILES
CC1=C(C(=C(C(=C1C)C)CCN)C)C
InChI
InChI=1S/C13H21N/c1-8-9(2)11(4)13(6-7-14)12(5)10(8)3/h6-7,14H2,1-5H3
InChIKey
JFLFQSJPOUSVCM-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentamethylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

191.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.174676 144.4
[M+Na]+ 214.156618 154.1
[M-H]- 190.160124 148.7
[M+NH4]+ 209.201223 165.2
[M+K]+ 230.130558 151.0
[M+H-H2O]+ 174.164660 139.3
[M+HCOO]- 236.165601 168.1
[M+CH3COO]- 250.181251 193.5
[M+Na-2H]- 212.142066 146.3
[M]+ 191.16685142 146.0
[M]- 191.16794858 146.0
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

patents stripe