CID 85537989

3-nonadecylphenol

Structural Information

Molecular Formula
C25H44O
SMILES
CCCCCCCCCCCCCCCCCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C25H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(26)23-24/h19,21-23,26H,2-18,20H2,1H3
InChIKey
CVAJGZCZYKYYFH-UHFFFAOYSA-N
Compound name
3-nonadecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

360.3392 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.34648 200.0
[M+Na]+ 383.32842 200.9
[M-H]- 359.33192 199.2
[M+NH4]+ 378.37302 212.2
[M+K]+ 399.30236 194.6
[M+H-H2O]+ 343.33646 191.5
[M+HCOO]- 405.33740 217.7
[M+CH3COO]- 419.35305 219.9
[M+Na-2H]- 381.31387 198.2
[M]+ 360.33865 205.6
[M]- 360.33975 205.6
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