CID 87347

Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, 2-phenylhydrazide

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC(CO)(CO)C(=O)NNC1=CC=CC=C1
InChI
InChI=1S/C11H16N2O3/c1-11(7-14,8-15)10(16)13-12-9-5-3-2-4-6-9/h2-6,12,14-15H,7-8H2,1H3,(H,13,16)
InChIKey
QXVQVTBWOPOSTG-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(hydroxymethyl)-2-methyl-N'-phenylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

126
Patents

224.11609 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.7
[M+Na]+ 247.105308 153.9
[M-H]- 223.108814 150.3
[M+NH4]+ 242.149913 165.6
[M+K]+ 263.079248 151.7
[M+H-H2O]+ 207.113350 143.5
[M+HCOO]- 269.114291 170.9
[M+CH3COO]- 283.129941 188.1
[M+Na-2H]- 245.090756 156.0
[M]+ 224.11554142 147.4
[M]- 224.11663858 147.4
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