CID 348915

2-cyanobutanedihydrazide

Structural Information

Molecular Formula
C5H9N5O2
SMILES
C(C(C#N)C(=O)NN)C(=O)NN
InChI
InChI=1S/C5H9N5O2/c6-2-3(5(12)10-8)1-4(11)9-7/h3H,1,7-8H2,(H,9,11)(H,10,12)
InChIKey
NPGJUHZOWHIJLX-UHFFFAOYSA-N
Compound name
2-cyanobutanedihydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.07562 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.08290 140.5
[M+Na]+ 194.06484 145.7
[M-H]- 170.06834 140.0
[M+NH4]+ 189.10944 156.3
[M+K]+ 210.03878 147.2
[M+H-H2O]+ 154.07288 127.3
[M+HCOO]- 216.07382 161.0
[M+CH3COO]- 230.08947 199.8
[M+Na-2H]- 192.05029 142.2
[M]+ 171.07507 130.5
[M]- 171.07617 130.5
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

No patent data available for this compound.