CID 5744092

2-methyl-2-(methylamino)-1-propanol benzoate hydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC(C)(C(O)OC(=O)C1=CC=CC=C1)NC
InChI
InChI=1S/C12H17NO3/c1-12(2,13-3)11(15)16-10(14)9-7-5-4-6-8-9/h4-8,11,13,15H,1-3H3
InChIKey
UNZXQQIJEAIRJE-UHFFFAOYSA-N
Compound name
[1-hydroxy-2-methyl-2-(methylamino)propyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.9
[M+Na]+ 246.11007 155.8
[M-H]- 222.11357 152.9
[M+NH4]+ 241.15467 167.9
[M+K]+ 262.08401 154.7
[M+H-H2O]+ 206.11811 144.9
[M+HCOO]- 268.11905 171.3
[M+CH3COO]- 282.13470 189.3
[M+Na-2H]- 244.09552 155.6
[M]+ 223.12030 151.0
[M]- 223.12140 151.0
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.