CID 3019911

85933-19-3

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC(CC1=CC(=C(C=C1)O)OC)(C(=O)O)NN
InChI
InChI=1S/C11H16N2O4/c1-11(13-12,10(15)16)6-7-3-4-8(14)9(5-7)17-2/h3-5,13-14H,6,12H2,1-2H3,(H,15,16)
InChIKey
CZEXQBQCMOVXGP-UHFFFAOYSA-N
Compound name
2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.11101 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 152.6
[M+Na]+ 263.100228 158.4
[M-H]- 239.103734 153.3
[M+NH4]+ 258.144833 168.0
[M+K]+ 279.074168 156.6
[M+H-H2O]+ 223.108270 146.5
[M+HCOO]- 285.109211 173.2
[M+CH3COO]- 299.124861 193.1
[M+Na-2H]- 261.085676 156.5
[M]+ 240.11046142 151.5
[M]- 240.11155858 151.5
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.