CID 57224956

Benzene, (1-methylpropyl)(2-phenylethyl)-

Structural Information

Molecular Formula
C18H22
SMILES
CCC(C)C1=CC=C(C=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C18H22/c1-3-15(2)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-8,11-15H,3,9-10H2,1-2H3
InChIKey
YYHFGRFVLDPLTD-UHFFFAOYSA-N
Compound name
1-butan-2-yl-4-(2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

238.17215 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17943 157.9
[M+Na]+ 261.16137 163.5
[M-H]- 237.16487 164.0
[M+NH4]+ 256.20597 175.5
[M+K]+ 277.13531 159.1
[M+H-H2O]+ 221.16941 150.3
[M+HCOO]- 283.17035 180.0
[M+CH3COO]- 297.18600 196.1
[M+Na-2H]- 259.14682 161.9
[M]+ 238.17160 158.1
[M]- 238.17270 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe