CID 12823681

1-chloro-3-methylbutan-2-ol

Structural Information

Molecular Formula
C5H11ClO
SMILES
CC(C)C(CCl)O
InChI
InChI=1S/C5H11ClO/c1-4(2)5(7)3-6/h4-5,7H,3H2,1-2H3
InChIKey
OATUOZRGCOGQQF-UHFFFAOYSA-N
Compound name
1-chloro-3-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

122.04984 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05712 123.3
[M+Na]+ 145.03906 130.9
[M-H]- 121.04256 122.4
[M+NH4]+ 140.08366 146.0
[M+K]+ 161.01300 129.2
[M+H-H2O]+ 105.04710 120.6
[M+HCOO]- 167.04804 139.7
[M+CH3COO]- 181.06369 169.1
[M+Na-2H]- 143.02451 127.6
[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

No literature data available for this compound.

Patent stripe

patents stripe