CID 116878347

[5-(oxan-4-yl)-1h-imidazol-2-yl]methanol

Structural Information

Molecular Formula
C9H14N2O2
SMILES
C1COCCC1C2=CN=C(N2)CO
InChI
InChI=1S/C9H14N2O2/c12-6-9-10-5-8(11-9)7-1-3-13-4-2-7/h5,7,12H,1-4,6H2,(H,10,11)
InChIKey
PCPWXNWENVGSLB-UHFFFAOYSA-N
Compound name
[5-(oxan-4-yl)-1H-imidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 139.6
[M+Na]+ 205.094748 145.3
[M-H]- 181.098254 140.9
[M+NH4]+ 200.139353 155.5
[M+K]+ 221.068688 143.3
[M+H-H2O]+ 165.102790 132.1
[M+HCOO]- 227.103731 155.9
[M+CH3COO]- 241.119381 173.4
[M+Na-2H]- 203.080196 143.7
[M]+ 182.10498142 134.5
[M]- 182.10607858 134.5
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.