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

46
Patents

183.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 140.6
[M+Na]+ 206.089988 149.0
[M-H]- 182.093494 141.8
[M+NH4]+ 201.134593 159.6
[M+K]+ 222.063928 148.4
[M+H-H2O]+ 166.098030 134.1
[M+HCOO]- 228.098971 162.2
[M+CH3COO]- 242.114621 181.4
[M+Na-2H]- 204.075436 145.2
[M]+ 183.10022142 141.3
[M]- 183.10131858 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