CID 5748802

Fqoujnldnxflfw-zdusscgksa-n

Structural Information

Molecular Formula
C15H24O
SMILES
CCCC[C@H](CCC)CC1=CC=CC=C1O
InChI
InChI=1S/C15H24O/c1-3-5-9-13(8-4-2)12-14-10-6-7-11-15(14)16/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3/t13-/m0/s1
InChIKey
FQOUJNLDNXFLFW-ZDUSSCGKSA-N
Compound name
2-[(2S)-2-propylhexyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 155.4
[M+Na]+ 243.171928 160.5
[M-H]- 219.175434 156.9
[M+NH4]+ 238.216533 173.4
[M+K]+ 259.145868 157.2
[M+H-H2O]+ 203.179970 149.2
[M+HCOO]- 265.180911 175.7
[M+CH3COO]- 279.196561 190.8
[M+Na-2H]- 241.157376 157.9
[M]+ 220.18216142 156.8
[M]- 220.18325858 156.8
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

No patent data available for this compound.