CID 61374

2-[(4-nonylphenoxy)methyl]oxirane

Structural Information

Molecular Formula
C18H28O2
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-14-18-15-20-18/h10-13,18H,2-9,14-15H2,1H3
InChIKey
AVKQYWUBGXNBCW-UHFFFAOYSA-N
Compound name
2-[(4-nonylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2285
Patents

276.20892 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 167.0
[M+Na]+ 299.19814 173.5
[M-H]- 275.20164 174.1
[M+NH4]+ 294.24274 177.5
[M+K]+ 315.17208 170.9
[M+H-H2O]+ 259.20618 158.7
[M+HCOO]- 321.20712 188.6
[M+CH3COO]- 335.22277 204.3
[M+Na-2H]- 297.18359 171.3
[M]+ 276.20837 174.9
[M]- 276.20947 174.9
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