CID 417589

2-(2,4,6-trimethylphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H17N
SMILES
CC1=CC(=C(C(=C1)C)CCN)C
InChI
InChI=1S/C11H17N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4-5,12H2,1-3H3
InChIKey
QUIIKTQSGAWIAC-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

163.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 136.4
[M+Na]+ 186.125318 145.0
[M-H]- 162.128824 140.2
[M+NH4]+ 181.169923 157.6
[M+K]+ 202.099258 142.3
[M+H-H2O]+ 146.133360 131.0
[M+HCOO]- 208.134301 160.7
[M+CH3COO]- 222.149951 185.0
[M+Na-2H]- 184.110766 140.8
[M]+ 163.13555142 136.5
[M]- 163.13664858 136.5
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