CID 16776999

[1-(2,4-dimethylphenyl)ethyl](methyl)amine

Structural Information

Molecular Formula
C11H17N
SMILES
CC1=CC(=C(C=C1)C(C)NC)C
InChI
InChI=1S/C11H17N/c1-8-5-6-11(9(2)7-8)10(3)12-4/h5-7,10,12H,1-4H3
InChIKey
XTNFDYBRUMIEEW-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

163.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 136.6
[M+Na]+ 186.12532 144.0
[M-H]- 162.12882 140.6
[M+NH4]+ 181.16992 157.7
[M+K]+ 202.09926 142.1
[M+H-H2O]+ 146.13336 131.0
[M+HCOO]- 208.13430 160.6
[M+CH3COO]- 222.14995 185.4
[M+Na-2H]- 184.11077 141.5
[M]+ 163.13555 136.6
[M]- 163.13665 136.6
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

patents stripe