CID 5271243

95936-34-8

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC1=C(N=CN1C2COC(C2CO)CO)C(=O)N
InChI
InChI=1S/C11H17N3O4/c1-6-10(11(12)17)13-5-14(6)8-4-18-9(3-16)7(8)2-15/h5,7-9,15-16H,2-4H2,1H3,(H2,12,17)
InChIKey
XTJFPIHLCWNPBI-UHFFFAOYSA-N
Compound name
1-[4,5-bis(hydroxymethyl)oxolan-3-yl]-5-methylimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.1219 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 157.5
[M+Na]+ 278.11112 164.4
[M-H]- 254.11462 159.8
[M+NH4]+ 273.15572 172.2
[M+K]+ 294.08506 162.9
[M+H-H2O]+ 238.11916 150.7
[M+HCOO]- 300.12010 175.2
[M+CH3COO]- 314.13575 192.2
[M+Na-2H]- 276.09657 155.6
[M]+ 255.12135 156.4
[M]- 255.12245 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.