CID 23377810

3840-33-3

Structural Information

Molecular Formula
C11H14
SMILES
CC1=CC(=C(C=C1)CC=C)C
InChI
InChI=1S/C11H14/c1-4-5-11-7-6-9(2)8-10(11)3/h4,6-8H,1,5H2,2-3H3
InChIKey
LTJBMHANWJCVFD-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

146.10954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11682 129.5
[M+Na]+ 169.09876 138.4
[M-H]- 145.10226 133.6
[M+NH4]+ 164.14336 151.7
[M+K]+ 185.07270 135.6
[M+H-H2O]+ 129.10680 124.5
[M+HCOO]- 191.10774 153.7
[M+CH3COO]- 205.12339 178.9
[M+Na-2H]- 167.08421 135.6
[M]+ 146.10899 130.3
[M]- 146.11009 130.3
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