CID 146683877

Anaephene b

Structural Information

Molecular Formula
C17H22O
SMILES
C#CCCC/C=C/CCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C17H22O/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-17(18)15-16/h1,6-7,11,13-15,18H,3-5,8-10,12H2/b7-6+
InChIKey
ONAACYBLFDMUOW-VOTSOKGWSA-N
Compound name
3-[(E)-undec-5-en-10-ynyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

242.16707 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17435 159.4
[M+Na]+ 265.15629 167.4
[M-H]- 241.15979 159.5
[M+NH4]+ 260.20089 174.6
[M+K]+ 281.13023 160.6
[M+H-H2O]+ 225.16433 147.2
[M+HCOO]- 287.16527 174.9
[M+CH3COO]- 301.18092 199.7
[M+Na-2H]- 263.14174 161.5
[M]+ 242.16652 155.3
[M]- 242.16762 155.3
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

No patent data available for this compound.