CID 105430230

2825007-63-2

Structural Information

Molecular Formula
C6H9N3O2
SMILES
COC(=O)C1=CN=C(N1)CN
InChI
InChI=1S/C6H9N3O2/c1-11-6(10)4-3-8-5(2-7)9-4/h3H,2,7H2,1H3,(H,8,9)
InChIKey
XBZLWZQXJCNPIZ-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.06947 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.076746 131.1
[M+Na]+ 178.058688 139.3
[M-H]- 154.062194 130.7
[M+NH4]+ 173.103293 150.1
[M+K]+ 194.032628 137.8
[M+H-H2O]+ 138.066730 124.2
[M+HCOO]- 200.067671 153.4
[M+CH3COO]- 214.083321 173.8
[M+Na-2H]- 176.044136 135.4
[M]+ 155.06892142 129.8
[M]- 155.07001858 129.8
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