CID 264852

4,4pr-isopropylideneditoluene

Structural Information

Molecular Formula
C17H20
SMILES
CC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)C
InChI
InChI=1S/C17H20/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKey
XIAHSJTUQAWUAW-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1982
Patents

224.1565 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16378 152.0
[M+Na]+ 247.14572 159.8
[M-H]- 223.14922 159.0
[M+NH4]+ 242.19032 170.7
[M+K]+ 263.11966 155.8
[M+H-H2O]+ 207.15376 145.4
[M+HCOO]- 269.15470 173.9
[M+CH3COO]- 283.17035 193.8
[M+Na-2H]- 245.13117 157.9
[M]+ 224.15595 152.6
[M]- 224.15705 152.6
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