CID 68211006

1-phenyl-1h,4h,5h,6h-pyrrolo[3,4-c]pyrazole hydrochloride

Structural Information

Molecular Formula
C11H11N3
SMILES
C1C2=C(CN1)N(N=C2)C3=CC=CC=C3
InChI
InChI=1S/C11H11N3/c1-2-4-10(5-3-1)14-11-8-12-6-9(11)7-13-14/h1-5,7,12H,6,8H2
InChIKey
PEMSJUWNDMCQEZ-UHFFFAOYSA-N
Compound name
1-phenyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.09529 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 139.1
[M+Na]+ 208.08451 147.9
[M-H]- 184.08801 141.8
[M+NH4]+ 203.12911 158.6
[M+K]+ 224.05845 143.6
[M+H-H2O]+ 168.09255 130.8
[M+HCOO]- 230.09349 159.2
[M+CH3COO]- 244.10914 151.7
[M+Na-2H]- 206.06996 143.8
[M]+ 185.09474 136.4
[M]- 185.09584 136.4
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

patents stripe