CID 71306012

1251014-83-1

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2CO
InChI
InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)14-4-7-8(5-14)12-13-9(7)6-15/h15H,4-6H2,1-3H3,(H,12,13)
InChIKey
LMBYCZPIAUWHJH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 154.6
[M+Na]+ 262.11622 162.0
[M+NH4]+ 257.16082 159.6
[M+K]+ 278.09016 163.4
[M-H]- 238.11972 151.1
[M+Na-2H]- 260.10167 154.9
[M]+ 239.12645 154.1
[M]- 239.12755 154.1
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.