CID 83407

3-chloro-2,2-dimethyl-1-propanol

Structural Information

Molecular Formula
C5H11ClO
SMILES
CC(C)(CO)CCl
InChI
InChI=1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
InChIKey
CAZPRAORHCOIHC-UHFFFAOYSA-N
Compound name
3-chloro-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

316
Patents

122.04984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05712 122.6
[M+Na]+ 145.03906 133.8
[M+NH4]+ 140.08366 131.3
[M+K]+ 161.01300 128.4
[M-H]- 121.04256 121.7
[M+Na-2H]- 143.02451 127.1
[M]+ 122.04929 124.2
[M]- 122.05039 124.2
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