CID 25324786

1050886-49-1

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N=CN2
InChI
InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-4-7-8(5-13)12-6-11-7/h6H,4-5H2,1-3H3,(H,11,12)
InChIKey
NMISNVXMWMBRGM-UHFFFAOYSA-N
Compound name
tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

209.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 150.2
[M+Na]+ 232.10564 158.3
[M-H]- 208.10914 149.9
[M+NH4]+ 227.15024 169.2
[M+K]+ 248.07958 156.7
[M+H-H2O]+ 192.11368 143.7
[M+HCOO]- 254.11462 167.0
[M+CH3COO]- 268.13027 181.6
[M+Na-2H]- 230.09109 153.1
[M]+ 209.11587 150.3
[M]- 209.11697 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

No literature data available for this compound.

Patent stripe

patents stripe