CID 10419

2-butyne

Structural Information

Molecular Formula
C4H6
SMILES
CC#CC
InChI
InChI=1S/C4H6/c1-3-4-2/h1-2H3
InChIKey
XNMQEEKYCVKGBD-UHFFFAOYSA-N
Compound name
but-2-yne
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

71
References

56171
Patents

54.04695 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 55.054226 105.4
[M+Na]+ 77.036168 116.0
[M-H]- 53.039674 105.9
[M+NH4]+ 72.080773 128.2
[M+K]+ 93.010108 115.2
[M+H-H2O]+ 37.044210 96.1
[M+HCOO]- 99.045151 124.5
[M+CH3COO]- 113.06080 170.2
[M+Na-2H]- 75.021616 113.4
[M]+ 54.046401 100.4
[M]- 54.047499 100.4
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