CID 86740

Einecs 242-333-6

Structural Information

Molecular Formula
C17H37NO3
SMILES
CCCCCCCCCCCCOCC(CNCCO)O
InChI
InChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-16-17(20)15-18-12-13-19/h17-20H,2-16H2,1H3
InChIKey
FUVVCZPEOKAHJS-UHFFFAOYSA-N
Compound name
1-dodecoxy-3-(2-hydroxyethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

113
Patents

303.27734 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.28462 182.2
[M+Na]+ 326.26656 182.7
[M-H]- 302.27006 177.4
[M+NH4]+ 321.31116 195.5
[M+K]+ 342.24050 179.7
[M+H-H2O]+ 286.27460 175.0
[M+HCOO]- 348.27554 200.0
[M+CH3COO]- 362.29119 206.6
[M+Na-2H]- 324.25201 181.4
[M]+ 303.27679 186.6
[M]- 303.27789 186.6
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