CID 13687900

28860-96-0

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)(C(=O)O)NN
InChI
InChI=1S/C12H18N2O4/c1-12(14-13,11(15)16)7-8-4-5-9(17-2)10(6-8)18-3/h4-6,14H,7,13H2,1-3H3,(H,15,16)
InChIKey
RPCRUCVXKKSQBD-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

254.12666 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 156.8
[M+Na]+ 277.11588 162.6
[M-H]- 253.11938 158.7
[M+NH4]+ 272.16048 172.4
[M+K]+ 293.08982 161.4
[M+H-H2O]+ 237.12392 150.3
[M+HCOO]- 299.12486 178.6
[M+CH3COO]- 313.14051 198.4
[M+Na-2H]- 275.10133 160.7
[M]+ 254.12611 158.0
[M]- 254.12721 158.0
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

patents stripe