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

literature stripe

Patent stripe

patents stripe