CID 119057030

(3-ethyl-1,2-oxazol-4-yl)methanol

Structural Information

Molecular Formula
C6H9NO2
SMILES
CCC1=NOC=C1CO
InChI
InChI=1S/C6H9NO2/c1-2-6-5(3-8)4-9-7-6/h4,8H,2-3H2,1H3
InChIKey
ABBNFPHEZAOLPY-UHFFFAOYSA-N
Compound name
(3-ethyl-1,2-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

127.06333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 122.8
[M+Na]+ 150.05255 132.0
[M-H]- 126.05605 124.8
[M+NH4]+ 145.09715 143.8
[M+K]+ 166.02649 132.0
[M+H-H2O]+ 110.06059 117.4
[M+HCOO]- 172.06153 145.8
[M+CH3COO]- 186.07718 167.4
[M+Na-2H]- 148.03800 130.0
[M]+ 127.06278 124.8
[M]- 127.06388 124.8
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