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

19
Patents

209.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 150.2
[M+Na]+ 232.105638 158.3
[M-H]- 208.109144 149.9
[M+NH4]+ 227.150243 169.2
[M+K]+ 248.079578 156.7
[M+H-H2O]+ 192.113680 143.7
[M+HCOO]- 254.114621 167.0
[M+CH3COO]- 268.130271 181.6
[M+Na-2H]- 230.091086 153.1
[M]+ 209.11587142 150.3
[M]- 209.11696858 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