CID 520468

2-methyl-5-(6-methylhept-5-en-2-yl)phenol

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=C(C=C(C=C1)C(C)CCC=C(C)C)O
InChI
InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3
InChIKey
FKWGCEDRLNNZOZ-UHFFFAOYSA-N
Compound name
2-methyl-5-(6-methylhept-5-en-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

61
References

993
Patents

218.16707 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.1
[M+Na]+ 241.15629 159.4
[M-H]- 217.15979 155.2
[M+NH4]+ 236.20089 171.5
[M+K]+ 257.13023 156.0
[M+H-H2O]+ 201.16433 147.5
[M+HCOO]- 263.16527 172.7
[M+CH3COO]- 277.18092 191.3
[M+Na-2H]- 239.14174 153.8
[M]+ 218.16652 153.5
[M]- 218.16762 153.5
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