CID 27392

Benzoic acid, 2-(1,3-dimethyl-3-hydroxybutyl)hydrazide

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(CC(C)(C)O)NNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H20N2O2/c1-10(9-13(2,3)17)14-15-12(16)11-7-5-4-6-8-11/h4-8,10,14,17H,9H2,1-3H3,(H,15,16)
InChIKey
QCGMRSFQUUNFNX-UHFFFAOYSA-N
Compound name
N'-(4-hydroxy-4-methylpentan-2-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

236.15248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.7
[M+Na]+ 259.14170 164.7
[M+NH4]+ 254.18630 162.9
[M+K]+ 275.11564 160.7
[M-H]- 235.14520 157.5
[M+Na-2H]- 257.12715 161.2
[M]+ 236.15193 157.7
[M]- 236.15303 157.7
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