CID 138823

Cyclopropylacetylene

Structural Information

Molecular Formula
C5H6
SMILES
C#CC1CC1
InChI
InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2
InChIKey
NPTDXPDGUHAFKC-UHFFFAOYSA-N
Compound name
ethynylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

5543
Patents

66.04695 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 67.054226 106.7
[M+Na]+ 89.036168 122.7
[M-H]- 65.039674 112.5
[M+NH4]+ 84.080773 126.1
[M+K]+ 105.01011 117.9
[M+H-H2O]+ 49.044210 98.5
[M+HCOO]- 111.04515 127.6
[M+CH3COO]- 125.06080 175.1
[M+Na-2H]- 87.021616 116.3
[M]+ 66.046401 104.8
[M]- 66.047499 104.8
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