CID 130574374

3-amino-2-methyl-1-(3-methylphenyl)butan-2-ol

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1=CC(=CC=C1)CC(C)(C(C)N)O
InChI
InChI=1S/C12H19NO/c1-9-5-4-6-11(7-9)8-12(3,14)10(2)13/h4-7,10,14H,8,13H2,1-3H3
InChIKey
ZKIJDFJYDZBELF-UHFFFAOYSA-N
Compound name
3-amino-2-methyl-1-(3-methylphenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.9
[M+Na]+ 216.135888 151.9
[M-H]- 192.139394 147.7
[M+NH4]+ 211.180493 164.5
[M+K]+ 232.109828 149.4
[M+H-H2O]+ 176.143930 140.6
[M+HCOO]- 238.144871 166.1
[M+CH3COO]- 252.160521 186.3
[M+Na-2H]- 214.121336 150.0
[M]+ 193.14612142 144.0
[M]- 193.14721858 144.0
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.