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]+ 164.143376 136.6
[M+Na]+ 186.125318 144.0
[M-H]- 162.128824 140.6
[M+NH4]+ 181.169923 157.7
[M+K]+ 202.099258 142.1
[M+H-H2O]+ 146.133360 131.0
[M+HCOO]- 208.134301 160.6
[M+CH3COO]- 222.149951 185.4
[M+Na-2H]- 184.110766 141.5
[M]+ 163.13555142 136.6
[M]- 163.13664858 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