CID 139026836

2361608-67-3

Structural Information

Molecular Formula
C9H21NO2
SMILES
CC[C@H](CN(C)C[C@@H](CC)O)O
InChI
InChI=1S/C9H21NO2/c1-4-8(11)6-10(3)7-9(12)5-2/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKey
GXMPGTXMVQAVAL-RKDXNWHRSA-N
Compound name
(2R)-1-[[(2R)-2-hydroxybutyl]-methylamino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.15723 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.16451 142.9
[M+Na]+ 198.14645 150.0
[M+NH4]+ 193.19105 149.3
[M+K]+ 214.12039 146.5
[M-H]- 174.14995 141.4
[M+Na-2H]- 196.13190 144.2
[M]+ 175.15668 143.0
[M]- 175.15778 143.0
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.