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
1
Annotation Hits

0
References

32
Patents

262.22968 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 169.3
[M+Na]+ 285.218898 173.1
[M-H]- 261.222404 170.1
[M+NH4]+ 280.263503 185.5
[M+K]+ 301.192838 169.0
[M+H-H2O]+ 245.226940 162.4
[M+HCOO]- 307.227881 188.5
[M+CH3COO]- 321.243531 199.8
[M+Na-2H]- 283.204346 170.1
[M]+ 262.22913142 171.7
[M]- 262.23022858 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