CID 151879591

181370-71-8

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)(C)OC(=O)CN1C=CN=C1N
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)14-7(13)6-12-5-4-11-8(12)10/h4-5H,6H2,1-3H3,(H2,10,11)
InChIKey
SOKUIKQZDPRIAC-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-aminoimidazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 145.0
[M+Na]+ 220.105638 152.8
[M-H]- 196.109144 145.9
[M+NH4]+ 215.150243 163.2
[M+K]+ 236.079578 151.9
[M+H-H2O]+ 180.113680 138.1
[M+HCOO]- 242.114621 166.2
[M+CH3COO]- 256.130271 185.1
[M+Na-2H]- 218.091086 149.0
[M]+ 197.11587142 146.1
[M]- 197.11696858 146.1
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

No patent data available for this compound.