CID 74148

1,4-diisopropenylbenzene

Structural Information

Molecular Formula
C12H14
SMILES
CC(=C)C1=CC=C(C=C1)C(=C)C
InChI
InChI=1S/C12H14/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1,3H2,2,4H3
InChIKey
ZENYUPUKNXGVDY-UHFFFAOYSA-N
Compound name
1,4-bis(prop-1-en-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

6978
Patents

158.10954 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11682 133.6
[M+Na]+ 181.09876 140.9
[M-H]- 157.10226 137.4
[M+NH4]+ 176.14336 154.8
[M+K]+ 197.07270 138.1
[M+H-H2O]+ 141.10680 128.4
[M+HCOO]- 203.10774 155.7
[M+CH3COO]- 217.12339 181.6
[M+Na-2H]- 179.08421 137.4
[M]+ 158.10899 132.4
[M]- 158.11009 132.4
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