CID 14907428

[[(3z)-3-hexenyloxy]methyl]benzene

Structural Information

Molecular Formula
C13H18O
SMILES
CC/C=C\CCOCC1=CC=CC=C1
InChI
InChI=1S/C13H18O/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
InChIKey
PCHRJGRKKJOULQ-ARJAWSKDSA-N
Compound name
[(Z)-hex-3-enoxy]methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 144.5
[M+Na]+ 213.12499 150.6
[M-H]- 189.12849 147.4
[M+NH4]+ 208.16959 164.2
[M+K]+ 229.09893 147.6
[M+H-H2O]+ 173.13303 138.2
[M+HCOO]- 235.13397 168.2
[M+CH3COO]- 249.14962 184.0
[M+Na-2H]- 211.11044 150.6
[M]+ 190.13522 146.5
[M]- 190.13632 146.5
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