CID 3060326

4-chloro-2-cyclopropylbut-3-yn-2-ol

Structural Information

Molecular Formula
C7H9ClO
SMILES
CC(C#CCl)(C1CC1)O
InChI
InChI=1S/C7H9ClO/c1-7(9,4-5-8)6-2-3-6/h6,9H,2-3H2,1H3
InChIKey
YUCPOSFMWSABII-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.041476 123.9
[M+Na]+ 167.023418 139.8
[M-H]- 143.026924 128.2
[M+NH4]+ 162.068023 140.9
[M+K]+ 182.997358 132.5
[M+H-H2O]+ 127.031460 116.9
[M+HCOO]- 189.032401 137.8
[M+CH3COO]- 203.048051 182.5
[M+Na-2H]- 165.008866 132.0
[M]+ 144.03365142 123.3
[M]- 144.03474858 123.3
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

No patent data available for this compound.