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

4
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]+ 117.06747 131.1
[M-H]- 93.070974 120.6
[M+NH4]+ 112.11207 134.8
[M+K]+ 133.04141 126.0
[M+H-H2O]+ 77.075510 107.3
[M+HCOO]- 139.07645 134.3
[M+CH3COO]- 153.09210 180.8
[M+Na-2H]- 115.05292 123.2
[M]+ 94.077701 113.8
[M]- 94.078799 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