CID 138991306

Methyl 3-(3-amino-1-methoxy-1-oxopropan-2-yl)benzoate hydrochloride

Structural Information

Molecular Formula
C12H15NO4
SMILES
COC(=O)C1=CC=CC(=C1)C(CN)C(=O)OC
InChI
InChI=1S/C12H15NO4/c1-16-11(14)9-5-3-4-8(6-9)10(7-13)12(15)17-2/h3-6,10H,7,13H2,1-2H3
InChIKey
HAAWWXMAMRBUAU-UHFFFAOYSA-N
Compound name
methyl 3-(3-amino-1-methoxy-1-oxopropan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 153.0
[M+Na]+ 260.08933 158.9
[M-H]- 236.09283 156.1
[M+NH4]+ 255.13393 170.0
[M+K]+ 276.06327 158.4
[M+H-H2O]+ 220.09737 146.3
[M+HCOO]- 282.09831 175.3
[M+CH3COO]- 296.11396 193.6
[M+Na-2H]- 258.07478 154.4
[M]+ 237.09956 154.9
[M]- 237.10066 154.9
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.