CID 11240424

Cyclopropane, 2-propynyl-

Structural Information

Molecular Formula
C6H8
SMILES
CC#CC1CC1
InChI
InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3
InChIKey
LIWWTIQFDBDUHK-UHFFFAOYSA-N
Compound name
prop-1-ynylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
Patents

80.0626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.069876 110.7
[M+Na]+ 103.05182 126.4
[M-H]- 79.055324 116.4
[M+NH4]+ 98.096423 129.8
[M+K]+ 119.02576 121.4
[M+H-H2O]+ 63.059860 102.4
[M+HCOO]- 125.06080 131.3
[M+CH3COO]- 139.07645 177.1
[M+Na-2H]- 101.03727 119.8
[M]+ 80.062051 109.1
[M]- 80.063149 109.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe