CID 55301277

71058-61-2

Structural Information

Molecular Formula
C5H6ClNO2
SMILES
C1=C(ON=C1CCl)CO
InChI
InChI=1S/C5H6ClNO2/c6-2-4-1-5(3-8)9-7-4/h1,8H,2-3H2
InChIKey
LUVJOTYECLBJJC-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)-1,2-oxazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.00871 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.01599 124.7
[M+Na]+ 169.99793 134.9
[M-H]- 146.00143 126.5
[M+NH4]+ 165.04253 145.6
[M+K]+ 185.97187 133.1
[M+H-H2O]+ 130.00597 119.9
[M+HCOO]- 192.00691 143.3
[M+CH3COO]- 206.02256 168.3
[M+Na-2H]- 167.98338 131.8
[M]+ 147.00816 128.0
[M]- 147.00926 128.0
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.