CID 20723793

4963-17-1

Structural Information

Molecular Formula
C6H13ClO
SMILES
CC(C)COCCCl
InChI
InChI=1S/C6H13ClO/c1-6(2)5-8-4-3-7/h6H,3-5H2,1-2H3
InChIKey
DVCNGSCNNPGQRK-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

136.06549 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07277 125.9
[M+Na]+ 159.05471 137.4
[M+NH4]+ 154.09931 134.9
[M+K]+ 175.02865 131.1
[M-H]- 135.05821 125.9
[M+Na-2H]- 157.04016 130.5
[M]+ 136.06494 127.7
[M]- 136.06604 127.7
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