CID 3392643

150433-24-2

Structural Information

Molecular Formula
C10H8N2
SMILES
C1C2=CC=CC=C2C3=C1C=NN3
InChI
InChI=1S/C10H8N2/c1-2-4-9-7(3-1)5-8-6-11-12-10(8)9/h1-4,6H,5H2,(H,11,12)
InChIKey
DGYDIEIMGSEYDK-UHFFFAOYSA-N
Compound name
1,4-dihydroindeno[1,2-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

78
Patents

156.06874 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07602 130.6
[M+Na]+ 179.05796 140.9
[M-H]- 155.06146 132.7
[M+NH4]+ 174.10256 154.0
[M+K]+ 195.03190 136.7
[M+H-H2O]+ 139.06600 124.3
[M+HCOO]- 201.06694 152.2
[M+CH3COO]- 215.08259 144.6
[M+Na-2H]- 177.04341 137.6
[M]+ 156.06819 129.7
[M]- 156.06929 129.7
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