CID 100032

2-propanol, 1-[bis(2-hydroxyethyl)amino]-3-(octyloxy)-

Structural Information

Molecular Formula
C15H33NO4
SMILES
CCCCCCCCOCC(CN(CCO)CCO)O
InChI
InChI=1S/C15H33NO4/c1-2-3-4-5-6-7-12-20-14-15(19)13-16(8-10-17)9-11-18/h15,17-19H,2-14H2,1H3
InChIKey
JORAAGBFBOAQTI-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxyethyl)amino]-3-octoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

291.24097 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.24825 176.8
[M+Na]+ 314.23019 177.8
[M-H]- 290.23369 172.4
[M+NH4]+ 309.27479 190.5
[M+K]+ 330.20413 176.4
[M+H-H2O]+ 274.23823 169.9
[M+HCOO]- 336.23917 194.5
[M+CH3COO]- 350.25482 203.5
[M+Na-2H]- 312.21564 175.8
[M]+ 291.24042 181.3
[M]- 291.24152 181.3
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