CID 18220

Nicotinic acid, 2-isopropylhydrazide

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC(C)NNC(=O)C1=CN=CC=C1
InChI
InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-4-3-5-10-6-8/h3-7,11H,1-2H3,(H,12,13)
InChIKey
AITQVTHYJIJZLT-UHFFFAOYSA-N
Compound name
N'-propan-2-ylpyridine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

179.10587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.4
[M+Na]+ 202.09509 144.9
[M-H]- 178.09859 141.5
[M+NH4]+ 197.13969 157.2
[M+K]+ 218.06903 143.6
[M+H-H2O]+ 162.10313 132.0
[M+HCOO]- 224.10407 163.2
[M+CH3COO]- 238.11972 185.9
[M+Na-2H]- 200.08054 145.8
[M]+ 179.10532 137.7
[M]- 179.10642 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe