CID 145913772

2377032-42-1

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)C1=CN=C(N1C)CN
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)7-6-12-8(5-11)13(7)4/h6H,5,11H2,1-4H3
InChIKey
BLTQSRWYTFSLNO-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-3-methylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.139356 149.3
[M+Na]+ 234.121298 157.6
[M-H]- 210.124804 150.4
[M+NH4]+ 229.165903 167.3
[M+K]+ 250.095238 156.5
[M+H-H2O]+ 194.129340 142.6
[M+HCOO]- 256.130281 170.1
[M+CH3COO]- 270.145931 189.3
[M+Na-2H]- 232.106746 152.1
[M]+ 211.13153142 151.1
[M]- 211.13262858 151.1
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.