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 157.9
[M+Na]+ 262.11622 165.8
[M-H]- 238.11972 156.4
[M+NH4]+ 257.16082 175.2
[M+K]+ 278.09016 163.6
[M+H-H2O]+ 222.12426 151.7
[M+HCOO]- 284.12520 173.0
[M+CH3COO]- 298.14085 185.4
[M+Na-2H]- 260.10167 159.4
[M]+ 239.12645 158.2
[M]- 239.12755 158.2
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.