CID 576146

63444-56-4

Structural Information

Molecular Formula
C12H16
SMILES
CC(C)CC1=CC=C(C=C1)C=C
InChI
InChI=1S/C12H16/c1-4-11-5-7-12(8-6-11)9-10(2)3/h4-8,10H,1,9H2,2-3H3
InChIKey
VTMSSJKVUVVWNJ-UHFFFAOYSA-N
Compound name
1-ethenyl-4-(2-methylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1671
Patents

160.1252 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 135.4
[M+Na]+ 183.11442 142.6
[M-H]- 159.11792 139.0
[M+NH4]+ 178.15902 156.6
[M+K]+ 199.08836 139.9
[M+H-H2O]+ 143.12246 130.0
[M+HCOO]- 205.12340 158.2
[M+CH3COO]- 219.13905 181.6
[M+Na-2H]- 181.09987 140.3
[M]+ 160.12465 135.5
[M]- 160.12575 135.5
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