CID 81886

2-isopropenyltoluene

Structural Information

Molecular Formula
C10H12
SMILES
CC1=CC=CC=C1C(=C)C
InChI
InChI=1S/C10H12/c1-8(2)10-7-5-4-6-9(10)3/h4-7H,1H2,2-3H3
InChIKey
OGMSGZZPTQNTIK-UHFFFAOYSA-N
Compound name
1-methyl-2-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4516
Patents

132.0939 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10118 125.8
[M+Na]+ 155.08312 133.9
[M-H]- 131.08662 129.9
[M+NH4]+ 150.12772 148.2
[M+K]+ 171.05706 131.8
[M+H-H2O]+ 115.09116 120.9
[M+HCOO]- 177.09210 149.4
[M+CH3COO]- 191.10775 175.6
[M+Na-2H]- 153.06857 131.9
[M]+ 132.09335 125.2
[M]- 132.09445 125.2
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