CID 358997

3-(1,3-oxazol-5-yl)propan-1-ol

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1=C(OC=N1)CCCO
InChI
InChI=1S/C6H9NO2/c8-3-1-2-6-4-7-5-9-6/h4-5,8H,1-3H2
InChIKey
LQWMUZPSOMBRRG-UHFFFAOYSA-N
Compound name
3-(1,3-oxazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 123.1
[M+Na]+ 150.052548 131.3
[M-H]- 126.056054 124.7
[M+NH4]+ 145.097153 143.7
[M+K]+ 166.026488 131.4
[M+H-H2O]+ 110.060590 117.4
[M+HCOO]- 172.061531 146.1
[M+CH3COO]- 186.077181 166.3
[M+Na-2H]- 148.037996 131.0
[M]+ 127.06278142 124.7
[M]- 127.06387858 124.7
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