CID 13847902

2-pentadecylphenol

Structural Information

Molecular Formula
C21H36O
SMILES
CCCCCCCCCCCCCCCC1=CC=CC=C1O
InChI
InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)22/h15-16,18-19,22H,2-14,17H2,1H3
InChIKey
RGDDVTHQUAQTIE-UHFFFAOYSA-N
Compound name
2-pentadecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1445
Patents

304.2766 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.283876 182.2
[M+Na]+ 327.265818 184.9
[M-H]- 303.269324 182.3
[M+NH4]+ 322.310423 196.7
[M+K]+ 343.239758 179.6
[M+H-H2O]+ 287.273860 174.6
[M+HCOO]- 349.274801 201.4
[M+CH3COO]- 363.290451 208.0
[M+Na-2H]- 325.251266 182.6
[M]+ 304.27605142 186.4
[M]- 304.27714858 186.4
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