CID 137698638

3-(2-chloropropyl)oxolane

Structural Information

Molecular Formula
C7H13ClO
SMILES
CC(CC1CCOC1)Cl
InChI
InChI=1S/C7H13ClO/c1-6(8)4-7-2-3-9-5-7/h6-7H,2-5H2,1H3
InChIKey
LKPSOUSQVYHRAX-UHFFFAOYSA-N
Compound name
3-(2-chloropropyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06549 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.072766 132.4
[M+Na]+ 171.054708 138.9
[M-H]- 147.058214 135.8
[M+NH4]+ 166.099313 154.7
[M+K]+ 187.028648 137.9
[M+H-H2O]+ 131.062750 128.2
[M+HCOO]- 193.063691 148.9
[M+CH3COO]- 207.079341 172.9
[M+Na-2H]- 169.040156 136.4
[M]+ 148.06494142 132.4
[M]- 148.06603858 132.4
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.