CID 57440768

929568-19-4

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)(C)OC(=O)N1C=CN=C1N
InChI
InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-5-4-10-6(11)9/h4-5H,1-3H3,(H2,9,10)
InChIKey
BXKYKASMZAUFCZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-aminoimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

183.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 140.6
[M+Na]+ 206.08999 149.0
[M-H]- 182.09349 141.8
[M+NH4]+ 201.13459 159.6
[M+K]+ 222.06393 148.4
[M+H-H2O]+ 166.09803 134.1
[M+HCOO]- 228.09897 162.2
[M+CH3COO]- 242.11462 181.4
[M+Na-2H]- 204.07544 145.2
[M]+ 183.10022 141.3
[M]- 183.10132 141.3
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