CID 131233

1-hnic

Structural Information

Molecular Formula
C13H23N3O2
SMILES
CCCCCC[C@H]([C@H](C)O)N1C=C(N=C1)C(=O)N
InChI
InChI=1S/C13H23N3O2/c1-3-4-5-6-7-12(10(2)17)16-8-11(13(14)18)15-9-16/h8-10,12,17H,3-7H2,1-2H3,(H2,14,18)/t10-,12+/m0/s1
InChIKey
JWHINRCANJWPCL-CMPLNLGQSA-N
Compound name
1-[(2S,3R)-2-hydroxynonan-3-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

253.17903 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.18631 163.5
[M+Na]+ 276.16825 168.0
[M-H]- 252.17175 162.1
[M+NH4]+ 271.21285 178.3
[M+K]+ 292.14219 165.9
[M+H-H2O]+ 236.17629 155.5
[M+HCOO]- 298.17723 181.4
[M+CH3COO]- 312.19288 197.4
[M+Na-2H]- 274.15370 161.7
[M]+ 253.17848 163.5
[M]- 253.17958 163.5
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

patents stripe