CID 95402

1-allyloxy-3-chloro-2-propanol

Structural Information

Molecular Formula
C6H11ClO2
SMILES
C=CCOCC(CCl)O
InChI
InChI=1S/C6H11ClO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5H2
InChIKey
DLVRPVNJFWEIFV-UHFFFAOYSA-N
Compound name
1-chloro-3-prop-2-enoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

86
Patents

150.04475 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.052026 129.4
[M+Na]+ 173.033968 137.1
[M-H]- 149.037474 128.3
[M+NH4]+ 168.078573 150.9
[M+K]+ 189.007908 134.5
[M+H-H2O]+ 133.042010 126.2
[M+HCOO]- 195.042951 146.9
[M+CH3COO]- 209.058601 172.3
[M+Na-2H]- 171.019416 134.4
[M]+ 150.04420142 132.1
[M]- 150.04529858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe