CID 75525682

2,2-dimethylpent-4-ynoyl chloride

Structural Information

Molecular Formula
C7H9ClO
SMILES
CC(C)(CC#C)C(=O)Cl
InChI
InChI=1S/C7H9ClO/c1-4-5-7(2,3)6(8)9/h1H,5H2,2-3H3
InChIKey
RBNNFEXMRCJUNW-UHFFFAOYSA-N
Compound name
2,2-dimethylpent-4-ynoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04148 128.9
[M+Na]+ 167.02342 139.6
[M-H]- 143.02692 129.2
[M+NH4]+ 162.06802 149.2
[M+K]+ 182.99736 136.4
[M+H-H2O]+ 127.03146 120.2
[M+HCOO]- 189.03240 141.1
[M+CH3COO]- 203.04805 183.5
[M+Na-2H]- 165.00887 133.9
[M]+ 144.03365 126.0
[M]- 144.03475 126.0
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