CID 126457707

(z)-3-(henicos-14-en-1-yl)phenol

Structural Information

Molecular Formula
C27H46O
SMILES
CCCCCC/C=C\CCCCCCCCCCCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C27H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23-21-24-27(28)25-26/h7-8,21,23-25,28H,2-6,9-20,22H2,1H3/b8-7-
InChIKey
KTZQVFBRDCNKPR-FPLPWBNLSA-N
Compound name
3-[(Z)-henicos-14-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.35486 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.36214 207.5
[M+Na]+ 409.34408 207.9
[M-H]- 385.34758 206.4
[M+NH4]+ 404.38868 218.6
[M+K]+ 425.31802 200.5
[M+H-H2O]+ 369.35212 198.7
[M+HCOO]- 431.35306 224.8
[M+CH3COO]- 445.36871 224.3
[M+Na-2H]- 407.32953 204.7
[M]+ 386.35431 213.0
[M]- 386.35541 213.0
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

No patent data available for this compound.