CID 5280829

2-[(2e)-3,7-dimethylocta-2,6-dienyl]phenol

Structural Information

Molecular Formula
C16H22O
SMILES
CC(=CCC/C(=C/CC1=CC=CC=C1O)/C)C
InChI
InChI=1S/C16H22O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h4-5,7,9-11,17H,6,8,12H2,1-3H3/b14-11+
InChIKey
GWMVTXXXCDWZQS-SDNWHVSQSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

230.16707 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.174346 157.5
[M+Na]+ 253.156288 162.8
[M-H]- 229.159794 159.1
[M+NH4]+ 248.200893 175.1
[M+K]+ 269.130228 158.5
[M+H-H2O]+ 213.164330 151.5
[M+HCOO]- 275.165271 177.0
[M+CH3COO]- 289.180921 191.6
[M+Na-2H]- 251.141736 158.4
[M]+ 230.16652142 157.1
[M]- 230.16761858 157.1
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