CID 13905653

2,2-dimethylbut-3-ynoyl chloride

Structural Information

Molecular Formula
C6H7ClO
SMILES
CC(C)(C#C)C(=O)Cl
InChI
InChI=1S/C6H7ClO/c1-4-6(2,3)5(7)8/h1H,2-3H3
InChIKey
GIRWNFBPTYBWLY-UHFFFAOYSA-N
Compound name
2,2-dimethylbut-3-ynoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

130.01854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02582 124.8
[M+Na]+ 153.00776 135.8
[M-H]- 129.01126 125.2
[M+NH4]+ 148.05236 145.6
[M+K]+ 168.98170 132.9
[M+H-H2O]+ 113.01580 116.3
[M+HCOO]- 175.01674 137.3
[M+CH3COO]- 189.03239 180.8
[M+Na-2H]- 150.99321 130.3
[M]+ 130.01799 121.5
[M]- 130.01909 121.5
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