CID 54592871

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

Structural Information

Molecular Formula
C12H19N
SMILES
CC1=CC=CC=C1C(CC(C)C)N
InChI
InChI=1S/C12H19N/c1-9(2)8-12(13)11-7-5-4-6-10(11)3/h4-7,9,12H,8,13H2,1-3H3
InChIKey
JLSPINKVLBVMGK-UHFFFAOYSA-N
Compound name
3-methyl-1-(2-methylphenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.9
[M+Na]+ 200.14097 148.6
[M-H]- 176.14447 145.9
[M+NH4]+ 195.18557 162.7
[M+K]+ 216.11491 146.6
[M+H-H2O]+ 160.14901 136.9
[M+HCOO]- 222.14995 164.9
[M+CH3COO]- 236.16560 187.4
[M+Na-2H]- 198.12642 145.5
[M]+ 177.15120 141.2
[M]- 177.15230 141.2
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

No patent data available for this compound.