CID 66866822

1uq39j30h0

Structural Information

Molecular Formula
C18H30O
SMILES
CCCCCC(CCCCC)CC1=CC=C(C=C1)O
InChI
InChI=1S/C18H30O/c1-3-5-7-9-16(10-8-6-4-2)15-17-11-13-18(19)14-12-17/h11-14,16,19H,3-10,15H2,1-2H3
InChIKey
WEZUGDVLPDQHJW-UHFFFAOYSA-N
Compound name
4-(2-pentylheptyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

262.22968 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 169.3
[M+Na]+ 285.21890 173.1
[M-H]- 261.22240 170.1
[M+NH4]+ 280.26350 185.5
[M+K]+ 301.19284 169.0
[M+H-H2O]+ 245.22694 162.4
[M+HCOO]- 307.22788 188.5
[M+CH3COO]- 321.24353 199.8
[M+Na-2H]- 283.20435 170.1
[M]+ 262.22913 171.7
[M]- 262.23023 171.7
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