CID 38049

2-(tridecyloxy)ethanol

Structural Information

Molecular Formula
C15H32O2
SMILES
CCCCCCCCCCCCCOCCO
InChI
InChI=1S/C15H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16/h16H,2-15H2,1H3
InChIKey
OJDDJQYSKDIXOE-UHFFFAOYSA-N
Compound name
2-tridecoxyethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

2712
Patents

244.24023 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.247506 166.6
[M+Na]+ 267.229448 169.6
[M-H]- 243.232954 163.7
[M+NH4]+ 262.274053 183.6
[M+K]+ 283.203388 167.0
[M+H-H2O]+ 227.237490 160.4
[M+HCOO]- 289.238431 186.4
[M+CH3COO]- 303.254081 195.6
[M+Na-2H]- 265.214896 168.3
[M]+ 244.23968142 172.3
[M]- 244.24077858 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe