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

1
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

literature stripe

Patent stripe

patents stripe