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

342
References

217409
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 107.2
[M+Na]+ 79.051818 115.5
[M-H]- 55.055324 108.0
[M+NH4]+ 74.096423 132.5
[M+K]+ 95.025758 115.6
[M+H-H2O]+ 39.059860 103.8
[M+HCOO]- 101.06080 131.9
[M+CH3COO]- 115.07645 160.4
[M+Na-2H]- 77.037266 115.7
[M]+ 56.062051 107.1
[M]- 56.063149 107.1
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