CID 72207598

951127-35-8

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC1=C2CN(CC2=NN1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H17N3O2/c1-7-8-5-14(6-9(8)13-12-7)10(15)16-11(2,3)4/h5-6H2,1-4H3,(H,12,13)
InChIKey
QVAXHLTUZGFIBD-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

223.13208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 154.7
[M+Na]+ 246.12130 163.3
[M-H]- 222.12480 154.5
[M+NH4]+ 241.16590 173.4
[M+K]+ 262.09524 161.3
[M+H-H2O]+ 206.12934 148.4
[M+HCOO]- 268.13028 171.1
[M+CH3COO]- 282.14593 185.8
[M+Na-2H]- 244.10675 156.4
[M]+ 223.13153 155.5
[M]- 223.13263 155.5
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