CID 137747

1,2,3-butatriene

Structural Information

Molecular Formula
C4H4
SMILES
C=C=C=C
InChI
InChI=1S/C4H4/c1-3-4-2/h1-2H2
InChIKey
WHVXVDDUYCELKP-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

827
Patents

52.0313 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 53.038576 104.0
[M+Na]+ 75.020518 113.1
[M-H]- 51.024024 104.9
[M+NH4]+ 70.065123 129.4
[M+K]+ 90.994458 111.9
[M+H-H2O]+ 35.028560 100.8
[M+HCOO]- 97.029501 129.1
[M+CH3COO]- 111.04515 157.7
[M+Na-2H]- 73.005966 112.7
[M]+ 52.030751 102.4
[M]- 52.031849 102.4
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