CID 20572

4489-84-3

Structural Information

Molecular Formula
C11H14
SMILES
CC(=CCC1=CC=CC=C1)C
InChI
InChI=1S/C11H14/c1-10(2)8-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKey
XGADZHWYGCKKJF-UHFFFAOYSA-N
Compound name
3-methylbut-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

209
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 131.9
[M+Na]+ 169.09876 138.6
[M-H]- 145.10226 135.3
[M+NH4]+ 164.14336 153.4
[M+K]+ 185.07270 136.2
[M+H-H2O]+ 129.10680 126.4
[M+HCOO]- 191.10774 155.1
[M+CH3COO]- 205.12339 176.8
[M+Na-2H]- 167.08421 138.0
[M]+ 146.10899 131.1
[M]- 146.11009 131.1
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