CID 76851

4-allyltoluene

Structural Information

Molecular Formula
C10H12
SMILES
CC1=CC=C(C=C1)CC=C
InChI
InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3
InChIKey
WAEOXIOXMKNFLQ-UHFFFAOYSA-N
Compound name
1-methyl-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

16632
Patents

132.0939 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10118 125.7
[M+Na]+ 155.08312 134.1
[M-H]- 131.08662 129.6
[M+NH4]+ 150.12772 148.1
[M+K]+ 171.05706 131.5
[M+H-H2O]+ 115.09116 120.7
[M+HCOO]- 177.09210 150.3
[M+CH3COO]- 191.10775 174.7
[M+Na-2H]- 153.06857 133.1
[M]+ 132.09335 125.8
[M]- 132.09445 125.8
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