CID 21572590

3-chloro-2-methylbutan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

122.04984 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05712 122.8
[M+Na]+ 145.03906 131.1
[M-H]- 121.04256 122.2
[M+NH4]+ 140.08366 145.7
[M+K]+ 161.01300 129.3
[M+H-H2O]+ 105.04710 120.6
[M+HCOO]- 167.04804 138.7
[M+CH3COO]- 181.06369 168.5
[M+Na-2H]- 143.02451 129.0
[M]+ 122.04929 123.9
[M]- 122.05039 123.9
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