CID 6441600

38816-48-7

Structural Information

Molecular Formula
C22H42O4
SMILES
CCCCCCCCC/C=C/CCCCCCCOCCOCC(=O)O
InChI
InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24/h10-11H,2-9,12-21H2,1H3,(H,23,24)/b11-10+
InChIKey
KEKAOUDIBUHFQC-ZHACJKMWSA-N
Compound name
2-[2-[(E)-octadec-8-enoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.30832 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.31560 200.8
[M+Na]+ 393.29754 201.1
[M-H]- 369.30104 196.6
[M+NH4]+ 388.34214 202.7
[M+K]+ 409.27148 197.1
[M+H-H2O]+ 353.30558 193.0
[M+HCOO]- 415.30652 218.1
[M+CH3COO]- 429.32217 218.6
[M+Na-2H]- 391.28299 197.7
[M]+ 370.30777 209.9
[M]- 370.30887 209.9
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

No patent data available for this compound.