CID 122598

32360-03-5

Structural Information

Molecular Formula
C25H44O
SMILES
CCCCCCCCCCCCCCCC1=CC(=C(C=C1)C(C)(C)C)O
InChI
InChI=1S/C25H44O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23(24(26)21-22)25(2,3)4/h19-21,26H,5-18H2,1-4H3
InChIKey
TUWLHUWKVRSCPR-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-pentadecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 200.2
[M+Na]+ 383.32842 202.7
[M-H]- 359.33192 200.3
[M+NH4]+ 378.37302 213.0
[M+K]+ 399.30236 196.9
[M+H-H2O]+ 343.33646 192.7
[M+HCOO]- 405.33740 216.4
[M+CH3COO]- 419.35305 220.8
[M+Na-2H]- 381.31387 198.6
[M]+ 360.33865 205.7
[M]- 360.33975 205.7
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