CID 111776

68921-99-3

Structural Information

Molecular Formula
C16H24O
SMILES
CCC(=CC1=CC=C(C=C1)OCCC(C)C)C
InChI
InChI=1S/C16H24O/c1-5-14(4)12-15-6-8-16(9-7-15)17-11-10-13(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey
RJGKXOFFZNQAGM-UHFFFAOYSA-N
Compound name
1-(2-methylbut-1-enyl)-4-(3-methylbutoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 158.2
[M+Na]+ 255.17193 163.5
[M-H]- 231.17543 161.1
[M+NH4]+ 250.21653 176.4
[M+K]+ 271.14587 160.8
[M+H-H2O]+ 215.17997 151.8
[M+HCOO]- 277.18091 178.9
[M+CH3COO]- 291.19656 195.8
[M+Na-2H]- 253.15738 159.5
[M]+ 232.18216 160.5
[M]- 232.18326 160.5
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

No patent data available for this compound.