CID 57161740

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

Structural Information

Molecular Formula
C18H22
SMILES
CCC(C)C1=CC=C(C=C1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C18H22/c1-4-14(2)16-10-12-18(13-11-16)15(3)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3
InChIKey
BGXDETJQFCTFFK-UHFFFAOYSA-N
Compound name
1-butan-2-yl-4-(1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
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 163.2
[M-H]- 237.16487 164.0
[M+NH4]+ 256.20597 175.3
[M+K]+ 277.13531 159.3
[M+H-H2O]+ 221.16941 150.4
[M+HCOO]- 283.17035 178.9
[M+CH3COO]- 297.18600 197.0
[M+Na-2H]- 259.14682 160.7
[M]+ 238.17160 157.5
[M]- 238.17270 157.5
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