CID 11086763

68972-96-3

Structural Information

Molecular Formula
C18H20O2
SMILES
C1=CC=C(C=C1)COC/C=C\COCC2=CC=CC=C2
InChI
InChI=1S/C18H20O2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-12H,13-16H2/b8-7-
InChIKey
SHOJWWNYFPQUHH-FPLPWBNLSA-N
Compound name
[(Z)-4-phenylmethoxybut-2-enoxy]methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

268.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 164.2
[M+Na]+ 291.135548 169.3
[M-H]- 267.139054 169.7
[M+NH4]+ 286.180153 180.0
[M+K]+ 307.109488 164.9
[M+H-H2O]+ 251.143590 155.7
[M+HCOO]- 313.144531 187.8
[M+CH3COO]- 327.160181 196.7
[M+Na-2H]- 289.120996 170.0
[M]+ 268.14578142 166.6
[M]- 268.14687858 166.6
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