CID 70993773

1174020-37-1

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N=C(C=C2)N
InChI
InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-6-8-4-5-10(13)14-9(8)7-15/h4-5H,6-7H2,1-3H3,(H2,13,14)
InChIKey
BWWYRVXNTUECLN-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

235.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 153.4
[M+Na]+ 258.12130 162.9
[M+NH4]+ 253.16590 160.0
[M+K]+ 274.09524 160.7
[M-H]- 234.12480 153.1
[M+Na-2H]- 256.10675 156.5
[M]+ 235.13153 154.3
[M]- 235.13263 154.3
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