CID 4103062

3,6,9,12-tetraoxaoctadecanoicacid

Structural Information

Molecular Formula
C14H28O6
SMILES
CCCCCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C14H28O6/c1-2-3-4-5-6-17-7-8-18-9-10-19-11-12-20-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKey
CZCCHIDOMPOGLB-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

476
Patents

292.1886 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19588 170.9
[M+Na]+ 315.17782 174.0
[M-H]- 291.18132 168.1
[M+NH4]+ 310.22242 185.4
[M+K]+ 331.15176 173.7
[M+H-H2O]+ 275.18586 164.0
[M+HCOO]- 337.18680 191.1
[M+CH3COO]- 351.20245 200.4
[M+Na-2H]- 313.16327 172.2
[M]+ 292.18805 180.7
[M]- 292.18915 180.7
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