CID 116487

2-methyl-1-(p-tolyl)propan-2-amine

Structural Information

Molecular Formula
C11H17N
SMILES
CC1=CC=C(C=C1)CC(C)(C)N
InChI
InChI=1S/C11H17N/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7H,8,12H2,1-3H3
InChIKey
CJOGAVGURHPLOJ-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-methylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

163.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.6
[M+Na]+ 186.12532 149.8
[M+NH4]+ 181.16992 146.8
[M+K]+ 202.09926 143.3
[M-H]- 162.12882 140.6
[M+Na-2H]- 184.11077 144.9
[M]+ 163.13555 140.3
[M]- 163.13665 140.3
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