CID 105427307

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

Structural Information

Molecular Formula
C6H9NO2
SMILES
CCC1=CN=C(O1)CO
InChI
InChI=1S/C6H9NO2/c1-2-5-3-7-6(4-8)9-5/h3,8H,2,4H2,1H3
InChIKey
ITHYTRRURGUBCW-UHFFFAOYSA-N
Compound name
(5-ethyl-1,3-oxazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.06333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 122.8
[M+Na]+ 150.052548 132.0
[M-H]- 126.056054 124.8
[M+NH4]+ 145.097153 143.8
[M+K]+ 166.026488 132.0
[M+H-H2O]+ 110.060590 117.4
[M+HCOO]- 172.061531 145.8
[M+CH3COO]- 186.077181 167.4
[M+Na-2H]- 148.037996 130.0
[M]+ 127.06278142 124.8
[M]- 127.06387858 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