CID 17024

2421-02-5

Structural Information

Molecular Formula
C12H27NO3
SMILES
CCC(CN(CC(CC)O)CC(CC)O)O
InChI
InChI=1S/C12H27NO3/c1-4-10(14)7-13(8-11(15)5-2)9-12(16)6-3/h10-12,14-16H,4-9H2,1-3H3
InChIKey
BFIAIMMAHAIVFT-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxybutyl)amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3008
Patents

233.1991 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.20638 159.3
[M+Na]+ 256.18832 164.5
[M+NH4]+ 251.23292 164.2
[M+K]+ 272.16226 162.0
[M-H]- 232.19182 156.4
[M+Na-2H]- 254.17377 158.4
[M]+ 233.19855 158.6
[M]- 233.19965 158.6
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