CID 21505793

Methyl 3-(3-amino-4-hydroxyphenyl)propanoate

Structural Information

Molecular Formula
C10H13NO3
SMILES
COC(=O)CCC1=CC(=C(C=C1)O)N
InChI
InChI=1S/C10H13NO3/c1-14-10(13)5-3-7-2-4-9(12)8(11)6-7/h2,4,6,12H,3,5,11H2,1H3
InChIKey
FCMPROFHPJZWKV-UHFFFAOYSA-N
Compound name
methyl 3-(3-amino-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

195.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.7
[M+Na]+ 218.07876 149.2
[M-H]- 194.08226 143.9
[M+NH4]+ 213.12336 160.2
[M+K]+ 234.05270 147.2
[M+H-H2O]+ 178.08680 135.8
[M+HCOO]- 240.08774 164.7
[M+CH3COO]- 254.10339 183.8
[M+Na-2H]- 216.06421 145.4
[M]+ 195.08899 141.9
[M]- 195.09009 141.9
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