CID 83184

1,2,3,4-tetrahydrophthalazine hydrochloride

Structural Information

Molecular Formula
C8H10N2
SMILES
C1C2=CC=CC=C2CNN1
InChI
InChI=1S/C8H10N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-4,9-10H,5-6H2
InChIKey
STIWEDICJHIFJT-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydrophthalazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3002
Patents

134.0844 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09168 126.7
[M+Na]+ 157.07362 133.2
[M-H]- 133.07712 125.1
[M+NH4]+ 152.11822 145.3
[M+K]+ 173.04756 129.0
[M+H-H2O]+ 117.08166 120.0
[M+HCOO]- 179.08260 143.0
[M+CH3COO]- 193.09825 138.3
[M+Na-2H]- 155.05907 135.9
[M]+ 134.08385 119.5
[M]- 134.08495 119.5
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