CID 5371758

16939-57-4

Structural Information

Molecular Formula
C10H10
SMILES
C=C/C=C/C1=CC=CC=C1
InChI
InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h2-9H,1H2/b7-3+
InChIKey
XZKRXPZXQLARHH-XVNBXDOJSA-N
Compound name
[(1E)-buta-1,3-dienyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7674
Patents

130.07825 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08553 125.3
[M+Na]+ 153.06747 133.1
[M-H]- 129.07097 128.9
[M+NH4]+ 148.11207 147.5
[M+K]+ 169.04141 129.9
[M+H-H2O]+ 113.07551 120.1
[M+HCOO]- 175.07645 150.1
[M+CH3COO]- 189.09210 172.1
[M+Na-2H]- 151.05292 133.4
[M]+ 130.07770 124.2
[M]- 130.07880 124.2
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