CID 18920900

1-chloro-4-methyl-pentan-3-ol

Structural Information

Molecular Formula
C6H13ClO
SMILES
CC(C)C(CCCl)O
InChI
InChI=1S/C6H13ClO/c1-5(2)6(8)3-4-7/h5-6,8H,3-4H2,1-2H3
InChIKey
LHHHCCUAOCYBKV-UHFFFAOYSA-N
Compound name
1-chloro-4-methylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

136.06549 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07277 126.9
[M+Na]+ 159.05471 137.5
[M+NH4]+ 154.09931 135.4
[M+K]+ 175.02865 132.3
[M-H]- 135.05821 126.1
[M+Na-2H]- 157.04016 130.5
[M]+ 136.06494 128.3
[M]- 136.06604 128.3
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