CID 581042

(1-ethyl-1h-imidazol-2-yl)methanol

Structural Information

Molecular Formula
C6H10N2O
SMILES
CCN1C=CN=C1CO
InChI
InChI=1S/C6H10N2O/c1-2-8-4-3-7-6(8)5-9/h3-4,9H,2,5H2,1H3
InChIKey
QYEQHVNOKQUFFM-UHFFFAOYSA-N
Compound name
(1-ethylimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

126.079315 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 124.5
[M+Na]+ 149.06853 133.6
[M-H]- 125.07204 124.4
[M+NH4]+ 144.11314 145.4
[M+K]+ 165.04247 132.2
[M+H-H2O]+ 109.07658 118.1
[M+HCOO]- 171.07752 146.9
[M+CH3COO]- 185.09317 168.2
[M+Na-2H]- 147.05398 130.6
[M]+ 126.07877 124.9
[M]- 126.07986 124.9
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