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]+ 168.113146 135.6
[M+Na]+ 190.095088 146.8
[M-H]- 166.098594 134.6
[M+NH4]+ 185.139693 158.1
[M+K]+ 206.069028 143.2
[M+H-H2O]+ 150.103130 130.1
[M+HCOO]- 212.104071 153.9
[M+CH3COO]- 226.119721 173.9
[M+Na-2H]- 188.080536 139.1
[M]+ 167.10532142 134.1
[M]- 167.10641858 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.