CID 190301

31535-06-5

Structural Information

Molecular Formula
C7H13ClO
SMILES
CCC1C(CCCO1)Cl
InChI
InChI=1S/C7H13ClO/c1-2-7-6(8)4-3-5-9-7/h6-7H,2-5H2,1H3
InChIKey
OZYHIICGFXIVAU-UHFFFAOYSA-N
Compound name
3-chloro-2-ethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

148.06549 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07277 129.6
[M+Na]+ 171.05471 136.5
[M-H]- 147.05821 133.2
[M+NH4]+ 166.09931 150.6
[M+K]+ 187.02865 135.3
[M+H-H2O]+ 131.06275 125.4
[M+HCOO]- 193.06369 145.2
[M+CH3COO]- 207.07934 173.3
[M+Na-2H]- 169.04016 135.8
[M]+ 148.06494 128.7
[M]- 148.06604 128.7
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