CID 20836254

Einecs 289-396-6

Structural Information

Molecular Formula
C13H18O
SMILES
CC/C=C\CCOC1=CC=CC=C1C
InChI
InChI=1S/C13H18O/c1-3-4-5-8-11-14-13-10-7-6-9-12(13)2/h4-7,9-10H,3,8,11H2,1-2H3/b5-4-
InChIKey
ALLVTPULWRZUHD-PLNGDYQASA-N
Compound name
1-[(Z)-hex-3-enoxy]-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

190.13577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 143.7
[M+Na]+ 213.124988 150.8
[M-H]- 189.128494 147.1
[M+NH4]+ 208.169593 163.8
[M+K]+ 229.098928 147.9
[M+H-H2O]+ 173.133030 137.7
[M+HCOO]- 235.133971 167.5
[M+CH3COO]- 249.149621 185.1
[M+Na-2H]- 211.110436 149.2
[M]+ 190.13522142 146.2
[M]- 190.13631858 146.2
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