CID 7147072

657428-42-7

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2
InChI
InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13/h4H,5-6H2,1-3H3,(H,11,12)
InChIKey
IBUNCTVDGYIKAP-UHFFFAOYSA-N
Compound name
tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

388
Patents

209.11642 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 150.2
[M+Na]+ 232.105638 158.3
[M-H]- 208.109144 149.9
[M+NH4]+ 227.150243 169.2
[M+K]+ 248.079578 156.7
[M+H-H2O]+ 192.113680 143.7
[M+HCOO]- 254.114621 167.0
[M+CH3COO]- 268.130271 181.6
[M+Na-2H]- 230.091086 153.1
[M]+ 209.11587142 150.3
[M]- 209.11696858 150.3
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