CID 154507527

2-ethynyl-1,1-dimethylcyclopropane

Structural Information

Molecular Formula
C7H10
SMILES
CC1(CC1C#C)C
InChI
InChI=1S/C7H10/c1-4-6-5-7(6,2)3/h1,6H,5H2,2-3H3
InChIKey
PTMQBUOJGOAYDR-UHFFFAOYSA-N
Compound name
2-ethynyl-1,1-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

94.07825 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.085526 114.2
[M+Na]+ 117.067468 131.1
[M-H]- 93.070974 120.6
[M+NH4]+ 112.112073 134.8
[M+K]+ 133.041408 126.0
[M+H-H2O]+ 77.075510 107.3
[M+HCOO]- 139.076451 134.3
[M+CH3COO]- 153.092101 180.8
[M+Na-2H]- 115.052916 123.2
[M]+ 94.07770142 113.8
[M]- 94.07879858 113.8
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