CID 203620

Phenol, 5-butoxy-2-heptyl-

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCCCCCC1=C(C=C(C=C1)OCCCC)O
InChI
InChI=1S/C17H28O2/c1-3-5-7-8-9-10-15-11-12-16(14-17(15)18)19-13-6-4-2/h11-12,14,18H,3-10,13H2,1-2H3
InChIKey
QRDGUMQMSDYOCX-UHFFFAOYSA-N
Compound name
5-butoxy-2-heptylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.20892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 166.9
[M+Na]+ 287.19814 172.2
[M-H]- 263.20164 168.2
[M+NH4]+ 282.24274 183.4
[M+K]+ 303.17208 168.5
[M+H-H2O]+ 247.20618 160.1
[M+HCOO]- 309.20712 187.7
[M+CH3COO]- 323.22277 199.1
[M+Na-2H]- 285.18359 168.8
[M]+ 264.20837 171.5
[M]- 264.20947 171.5
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