CID 23322167

2-methyl-4-(4-methylphenyl)butan-2-amine

Structural Information

Molecular Formula
C12H19N
SMILES
CC1=CC=C(C=C1)CCC(C)(C)N
InChI
InChI=1S/C12H19N/c1-10-4-6-11(7-5-10)8-9-12(2,3)13/h4-7H,8-9,13H2,1-3H3
InChIKey
LBORMSBJBMJKEQ-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-methylphenyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

177.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 141.9
[M+Na]+ 200.14097 148.7
[M-H]- 176.14447 145.1
[M+NH4]+ 195.18557 162.0
[M+K]+ 216.11491 146.0
[M+H-H2O]+ 160.14901 136.4
[M+HCOO]- 222.14995 164.3
[M+CH3COO]- 236.16560 186.1
[M+Na-2H]- 198.12642 147.7
[M]+ 177.15120 141.1
[M]- 177.15230 141.1
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