CID 10942583

1-isopropenyl-2,3-dimethyl-benzene

Structural Information

Molecular Formula
C11H14
SMILES
CC1=C(C(=CC=C1)C(=C)C)C
InChI
InChI=1S/C11H14/c1-8(2)11-7-5-6-9(3)10(11)4/h5-7H,1H2,2-4H3
InChIKey
FKIJMTKJEMUCQG-UHFFFAOYSA-N
Compound name
1,2-dimethyl-3-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

329
Patents

146.10954 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11682 129.4
[M+Na]+ 169.09876 138.1
[M-H]- 145.10226 133.7
[M+NH4]+ 164.14336 151.6
[M+K]+ 185.07270 135.7
[M+H-H2O]+ 129.10680 124.6
[M+HCOO]- 191.10774 152.7
[M+CH3COO]- 205.12339 179.7
[M+Na-2H]- 167.08421 134.3
[M]+ 146.10899 129.6
[M]- 146.11009 129.6
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