CID 76383

4,6-dinonyl-o-cresol

Structural Information

Molecular Formula
C25H44O
SMILES
CCCCCCCCCC1=CC(=C(C(=C1)C)O)CCCCCCCCC
InChI
InChI=1S/C25H44O/c1-4-6-8-10-12-14-16-18-23-20-22(3)25(26)24(21-23)19-17-15-13-11-9-7-5-2/h20-21,26H,4-19H2,1-3H3
InChIKey
SGHSRBYSXCNJLP-UHFFFAOYSA-N
Compound name
2-methyl-4,6-di(nonyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

658
Patents

360.3392 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.34648 199.1
[M+Na]+ 383.32842 202.0
[M-H]- 359.33192 199.3
[M+NH4]+ 378.37302 212.0
[M+K]+ 399.30236 195.8
[M+H-H2O]+ 343.33646 191.2
[M+HCOO]- 405.33740 216.9
[M+CH3COO]- 419.35305 222.2
[M+Na-2H]- 381.31387 196.1
[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