CID 27512

15856-16-3

Structural Information

Molecular Formula
C12H19N3O
SMILES
CC(C)CC(C)NNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C12H19N3O/c1-9(2)8-10(3)14-15-12(16)11-4-6-13-7-5-11/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)
InChIKey
ZGCUMYSTJDFOCK-UHFFFAOYSA-N
Compound name
N'-(4-methylpentan-2-yl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.15282 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.160096 153.6
[M+Na]+ 244.142038 157.5
[M-H]- 220.145544 155.3
[M+NH4]+ 239.186643 169.7
[M+K]+ 260.115978 156.1
[M+H-H2O]+ 204.150080 145.7
[M+HCOO]- 266.151021 175.4
[M+CH3COO]- 280.166671 195.9
[M+Na-2H]- 242.127486 157.2
[M]+ 221.15227142 152.3
[M]- 221.15336858 152.3
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