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

13
Patents

122.04984 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.057116 123.3
[M+Na]+ 145.039058 130.9
[M-H]- 121.042564 122.4
[M+NH4]+ 140.083663 146.0
[M+K]+ 161.012998 129.2
[M+H-H2O]+ 105.047100 120.6
[M+HCOO]- 167.048041 139.7
[M+CH3COO]- 181.063691 169.1
[M+Na-2H]- 143.024506 127.6
[M]+ 122.04929142 124.2
[M]- 122.05038858 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