CID 122611598

Schembl18139765

Structural Information

Molecular Formula
C13H26O4
SMILES
CCCCCCCCCOCCOCC(=O)O
InChI
InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-16-10-11-17-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey
JNSVWPHASHKZRS-UHFFFAOYSA-N
Compound name
2-(2-nonoxyethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

246.1831 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.190376 162.1
[M+Na]+ 269.172318 165.9
[M-H]- 245.175824 159.6
[M+NH4]+ 264.216923 178.7
[M+K]+ 285.146258 164.7
[M+H-H2O]+ 229.180360 156.0
[M+HCOO]- 291.181301 182.2
[M+CH3COO]- 305.196951 193.4
[M+Na-2H]- 267.157766 163.7
[M]+ 246.18255142 168.6
[M]- 246.18364858 168.6
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