CID 45081572

72335-84-3

Structural Information

Molecular Formula
C10H13ClO
SMILES
C#CCC1(CCCCC1)C(=O)Cl
InChI
InChI=1S/C10H13ClO/c1-2-6-10(9(11)12)7-4-3-5-8-10/h1H,3-8H2
InChIKey
YEKGYGDBJDRKBH-UHFFFAOYSA-N
Compound name
1-prop-2-ynylcyclohexane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06549 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 139.0
[M+Na]+ 207.05471 148.5
[M-H]- 183.05821 141.1
[M+NH4]+ 202.09931 159.2
[M+K]+ 223.02865 142.3
[M+H-H2O]+ 167.06275 129.6
[M+HCOO]- 229.06369 149.5
[M+CH3COO]- 243.07934 187.6
[M+Na-2H]- 205.04016 142.8
[M]+ 184.06494 131.9
[M]- 184.06604 131.9
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

No patent data available for this compound.