CID 281610

1h-pyrrole-2-carbohydrazide

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=CNC(=C1)C(=O)NN
InChI
InChI=1S/C5H7N3O/c6-8-5(9)4-2-1-3-7-4/h1-3,7H,6H2,(H,8,9)
InChIKey
FQIAWPZQJCAPSW-UHFFFAOYSA-N
Compound name
1H-pyrrole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

132
Patents

125.058914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.9
[M+Na]+ 148.04813 129.8
[M-H]- 124.05164 123.7
[M+NH4]+ 143.09274 143.8
[M+K]+ 164.02207 128.0
[M+H-H2O]+ 108.05617 116.4
[M+HCOO]- 170.05712 147.6
[M+CH3COO]- 184.07276 169.8
[M+Na-2H]- 146.03358 128.8
[M]+ 125.05837 118.1
[M]- 125.05946 118.1
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