CID 3060326

77985-09-2

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]+ 145.04148 123.9
[M+Na]+ 167.02342 139.8
[M-H]- 143.02692 128.2
[M+NH4]+ 162.06802 140.9
[M+K]+ 182.99736 132.5
[M+H-H2O]+ 127.03146 116.9
[M+HCOO]- 189.03240 137.8
[M+CH3COO]- 203.04805 182.5
[M+Na-2H]- 165.00887 132.0
[M]+ 144.03365 123.3
[M]- 144.03475 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.