CID 118960564

Ox03050

Structural Information

Molecular Formula
C17H18O2
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OCCCO
InChI
InChI=1S/C17H18O2/c18-13-4-14-19-17-11-9-16(10-12-17)8-7-15-5-2-1-3-6-15/h1-3,5-12,18H,4,13-14H2/b8-7+
InChIKey
IVVVHAMSSLGCCI-BQYQJAHWSA-N
Compound name
3-[4-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

254.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 159.5
[M+Na]+ 277.11990 165.6
[M-H]- 253.12340 164.3
[M+NH4]+ 272.16450 175.6
[M+K]+ 293.09384 160.6
[M+H-H2O]+ 237.12794 151.9
[M+HCOO]- 299.12888 182.0
[M+CH3COO]- 313.14453 192.2
[M+Na-2H]- 275.10535 164.8
[M]+ 254.13013 160.2
[M]- 254.13123 160.2
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