CID 470891

4-hydroxy-2-methyl-hexahydropyrimidine-5-carbohydrazide

Structural Information

Molecular Formula

C₆H₁₄N₄O₂

SMILES

CC1NCC(C(N1)O)C(=O)NN

InChI

InChI=1S/C6H14N4O2/c1-3-8-2-4(5(11)9-3)6(12)10-7/h3-5,8-9,11H,2,7H2,1H3,(H,10,12)

InChIKey

NXUWRKZQWLXZDM-UHFFFAOYSA-N

Compound name

4-hydroxy-2-methyl-1,3-diazinane-5-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.11168 Da
Monoisotopic Mass: -1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.118956	140.1
[M+Na]+	197.100898	144.7
[M-H]-	173.104404	136.2
[M+NH4]+	192.145503	154.7
[M+K]+	213.074838	141.8
[M+H-H2O]+	157.108940	133.3
[M+HCOO]-	219.109881	155.1
[M+CH3COO]-	233.125531	176.9
[M+Na-2H]-	195.086346	142.2
[M]+	174.11113142	129.8
[M]-	174.11222858	129.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.