CID 47002400

2-methyl-2-(3-methylphenyl)propan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.1361 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe