CID 468612

Schembl2989617

Structural Information

Molecular Formula
C11H17N3O
SMILES
CCC(CC)NNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C11H17N3O/c1-3-10(4-2)13-14-11(15)9-5-7-12-8-6-9/h5-8,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKey
PLUXQVPKWVBSHD-UHFFFAOYSA-N
Compound name
N'-pentan-3-ylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

207.13716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.144436 148.5
[M+Na]+ 230.126378 153.1
[M-H]- 206.129884 150.3
[M+NH4]+ 225.170983 165.2
[M+K]+ 246.100318 151.4
[M+H-H2O]+ 190.134420 140.7
[M+HCOO]- 252.135361 171.6
[M+CH3COO]- 266.151011 192.0
[M+Na-2H]- 228.111826 153.9
[M]+ 207.13661142 147.5
[M]- 207.13770858 147.5
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