CID 59057802

81570-06-1

Structural Information

Molecular Formula
C6H15NO
SMILES
C[C@H]([C@H](C)O)N(C)C
InChI
InChI=1S/C6H15NO/c1-5(6(2)8)7(3)4/h5-6,8H,1-4H3/t5-,6+/m1/s1
InChIKey
AINPAHMIZZLYDO-RITPCOANSA-N
Compound name
(2S,3R)-3-(dimethylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 127.3
[M+Na]+ 140.10458 133.0
[M-H]- 116.10809 127.8
[M+NH4]+ 135.14919 149.6
[M+K]+ 156.07852 134.6
[M+H-H2O]+ 100.11262 122.6
[M+HCOO]- 162.11356 149.3
[M+CH3COO]- 176.12922 176.6
[M+Na-2H]- 138.09003 130.7
[M]+ 117.11482 127.2
[M]- 117.11591 127.2
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.