CID 7844

1-butene

Structural Information

Molecular Formula
C4H8
SMILES
CCC=C
InChI
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
InChIKey
VXNZUUAINFGPBY-UHFFFAOYSA-N
Compound name
but-1-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

343
References

102314
Patents

56.0626 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 57.069876 108.1
[M+Na]+ 79.051818 120.2
[M+NH4]+ 74.096423 117.7
[M+K]+ 95.025758 113.7
[M-H]- 55.055324 108.8
[M+Na-2H]- 77.037266 113.9
[M]+ 56.062051 109.9
[M]- 56.063149 109.9
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