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]+ 232.227106 162.4
[M+Na]+ 254.209048 165.5
[M-H]- 230.212554 160.4
[M+NH4]+ 249.253653 179.7
[M+K]+ 270.182988 164.8
[M+H-H2O]+ 214.217090 157.1
[M+HCOO]- 276.218031 180.4
[M+CH3COO]- 290.233681 195.8
[M+Na-2H]- 252.194496 163.6
[M]+ 231.21928142 164.6
[M]- 231.22037858 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.