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
1
Annotation Hits

0
References

136
Patents

224.11609 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 149.7
[M+Na]+ 247.10531 153.9
[M-H]- 223.10881 150.3
[M+NH4]+ 242.14991 165.6
[M+K]+ 263.07925 151.7
[M+H-H2O]+ 207.11335 143.5
[M+HCOO]- 269.11429 170.9
[M+CH3COO]- 283.12994 188.1
[M+Na-2H]- 245.09076 156.0
[M]+ 224.11554 147.4
[M]- 224.11664 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