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

8
Patents

122.04984 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.057116 122.8
[M+Na]+ 145.039058 131.1
[M-H]- 121.042564 122.2
[M+NH4]+ 140.083663 145.7
[M+K]+ 161.012998 129.3
[M+H-H2O]+ 105.047100 120.6
[M+HCOO]- 167.048041 138.7
[M+CH3COO]- 181.063691 168.5
[M+Na-2H]- 143.024506 129.0
[M]+ 122.04929142 123.9
[M]- 122.05038858 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