CID 86039

2-[(3-pentadecylphenoxy)methyl]oxirane

Structural Information

Molecular Formula
C24H40O2
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC2CO2
InChI
InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)25-20-24-21-26-24/h15,17-19,24H,2-14,16,20-21H2,1H3
InChIKey
FLMRHAZRTLGUHB-UHFFFAOYSA-N
Compound name
2-[(3-pentadecylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

360.30283 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.310106 192.1
[M+Na]+ 383.292048 196.1
[M-H]- 359.295554 198.0
[M+NH4]+ 378.336653 199.3
[M+K]+ 399.265988 192.1
[M+H-H2O]+ 343.300090 182.8
[M+HCOO]- 405.301031 211.8
[M+CH3COO]- 419.316681 221.3
[M+Na-2H]- 381.277496 193.3
[M]+ 360.30228142 202.1
[M]- 360.30337858 202.1
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