CID 60820527

2,2-dimethyl-1-(2-methylphenyl)propan-1-amine

Structural Information

Molecular Formula
C12H19N
SMILES
CC1=CC=CC=C1C(C(C)(C)C)N
InChI
InChI=1S/C12H19N/c1-9-7-5-6-8-10(9)11(13)12(2,3)4/h5-8,11H,13H2,1-4H3
InChIKey
LEOJYNQFZGBWMY-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-(2-methylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

177.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.0
[M+Na]+ 200.14097 148.6
[M-H]- 176.14447 145.4
[M+NH4]+ 195.18557 162.2
[M+K]+ 216.11491 146.6
[M+H-H2O]+ 160.14901 136.7
[M+HCOO]- 222.14995 163.5
[M+CH3COO]- 236.16560 186.2
[M+Na-2H]- 198.12642 146.6
[M]+ 177.15120 140.5
[M]- 177.15230 140.5
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