CID 24688609

2,2-dimethyl-1-(4-methylphenyl)propan-1-amine

Structural Information

Molecular Formula
C12H19N
SMILES
CC1=CC=C(C=C1)C(C(C)(C)C)N
InChI
InChI=1S/C12H19N/c1-9-5-7-10(8-6-9)11(13)12(2,3)4/h5-8,11H,13H2,1-4H3
InChIKey
XKMYZXWVCDFEJI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-(4-methylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

177.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 142.0
[M+Na]+ 200.140968 148.6
[M-H]- 176.144474 145.4
[M+NH4]+ 195.185573 162.2
[M+K]+ 216.114908 146.6
[M+H-H2O]+ 160.149010 136.7
[M+HCOO]- 222.149951 163.5
[M+CH3COO]- 236.165601 186.2
[M+Na-2H]- 198.126416 146.6
[M]+ 177.15120142 140.5
[M]- 177.15229858 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