CID 162597

Einecs 256-673-8

Structural Information

Molecular Formula
C13H18O
SMILES
CC(=CCOCCC1=CC=CC=C1)C
InChI
InChI=1S/C13H18O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3
InChIKey
WNXBRCWBIGPREJ-UHFFFAOYSA-N
Compound name
2-(3-methylbut-2-enoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

66
Patents

190.13577 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 145.0
[M+Na]+ 213.124988 150.8
[M-H]- 189.128494 148.0
[M+NH4]+ 208.169593 164.6
[M+K]+ 229.098928 148.3
[M+H-H2O]+ 173.133030 138.8
[M+HCOO]- 235.133971 167.7
[M+CH3COO]- 249.149621 184.8
[M+Na-2H]- 211.110436 149.8
[M]+ 190.13522142 146.4
[M]- 190.13631858 146.4
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