CID 522027

Benzene, (1-methylpropyl)(phenylmethyl)-

Structural Information

Molecular Formula
C17H20
SMILES
CCC(C)C1=CC=C(C=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H20/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3
InChIKey
YCCATRPFNIUXHS-UHFFFAOYSA-N
Compound name
1-benzyl-4-butan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

224.1565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.163776 153.2
[M+Na]+ 247.145718 159.3
[M-H]- 223.149224 159.5
[M+NH4]+ 242.190323 171.3
[M+K]+ 263.119658 155.1
[M+H-H2O]+ 207.153760 145.8
[M+HCOO]- 269.154701 175.6
[M+CH3COO]- 283.170351 193.1
[M+Na-2H]- 245.131166 157.8
[M]+ 224.15595142 153.1
[M]- 224.15704858 153.1
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