CID 386624

Nsc679078

Structural Information

Molecular Formula
C4H7N5O
SMILES
C1=CN(N=N1)CC(=O)NN
InChI
InChI=1S/C4H7N5O/c5-7-4(10)3-9-2-1-6-8-9/h1-2H,3,5H2,(H,7,10)
InChIKey
LACAXGGJCCJQOP-UHFFFAOYSA-N
Compound name
2-(triazol-1-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

141.06506 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.072336 126.0
[M+Na]+ 164.054278 133.7
[M-H]- 140.057784 125.5
[M+NH4]+ 159.098883 144.2
[M+K]+ 180.028218 132.9
[M+H-H2O]+ 124.062320 117.6
[M+HCOO]- 186.063261 149.9
[M+CH3COO]- 200.078911 175.0
[M+Na-2H]- 162.039726 133.0
[M]+ 141.06451142 123.8
[M]- 141.06560858 123.8
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