CID 77353

1,3-diisopropenylbenzene

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6310
Patents

158.10954 Da
Monoisotopic Mass

4.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.