CID 3067052

Tertiobutylamino-3 (hexanyl-2)oxy-1 propanol-2 chlorhydrate [french]

Structural Information

Molecular Formula
C13H29NO2
SMILES
CCCCC(C)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C13H29NO2/c1-6-7-8-11(2)16-10-12(15)9-14-13(3,4)5/h11-12,14-15H,6-10H2,1-5H3
InChIKey
SPHSRZPMJSMTJK-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-hexan-2-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.21983 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.22711 162.4
[M+Na]+ 254.20905 165.5
[M-H]- 230.21255 160.4
[M+NH4]+ 249.25365 179.7
[M+K]+ 270.18299 164.8
[M+H-H2O]+ 214.21709 157.1
[M+HCOO]- 276.21803 180.4
[M+CH3COO]- 290.23368 195.8
[M+Na-2H]- 252.19450 163.6
[M]+ 231.21928 164.6
[M]- 231.22038 164.6
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

No patent data available for this compound.