CID 83845988

2243507-67-5

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1(C2=C(CN1C)C(=O)NN2)C
InChI
InChI=1S/C8H13N3O/c1-8(2)6-5(4-11(8)3)7(12)10-9-6/h4H2,1-3H3,(H2,9,10,12)
InChIKey
DLHGRFWTUBXSRO-UHFFFAOYSA-N
Compound name
5,6,6-trimethyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 135.6
[M+Na]+ 190.09509 146.8
[M-H]- 166.09859 134.6
[M+NH4]+ 185.13969 158.1
[M+K]+ 206.06903 143.2
[M+H-H2O]+ 150.10313 130.1
[M+HCOO]- 212.10407 153.9
[M+CH3COO]- 226.11972 173.9
[M+Na-2H]- 188.08054 139.1
[M]+ 167.10532 134.1
[M]- 167.10642 134.1
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

No patent data available for this compound.