CID 3637

Hydralazine

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC=C2C(=C1)C=NN=C2NN
InChI
InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
InChIKey
RPTUSVTUFVMDQK-UHFFFAOYSA-N
Compound name
phthalazin-1-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4722
References

35876
Patents

160.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 129.6
[M+Na]+ 183.06411 138.3
[M-H]- 159.06761 131.3
[M+NH4]+ 178.10871 148.0
[M+K]+ 199.03805 134.9
[M+H-H2O]+ 143.07215 121.9
[M+HCOO]- 205.07309 153.3
[M+CH3COO]- 219.08874 142.8
[M+Na-2H]- 181.04956 141.1
[M]+ 160.07434 127.1
[M]- 160.07544 127.1
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