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]+ 198.12370 145.0
[M+Na]+ 220.10564 152.8
[M-H]- 196.10914 145.9
[M+NH4]+ 215.15024 163.2
[M+K]+ 236.07958 151.9
[M+H-H2O]+ 180.11368 138.1
[M+HCOO]- 242.11462 166.2
[M+CH3COO]- 256.13027 185.1
[M+Na-2H]- 218.09109 149.0
[M]+ 197.11587 146.1
[M]- 197.11697 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.