CID 55288272

(2s)-2-methyl-3-(methylamino)propan-1-ol

Structural Information

Molecular Formula
C5H13NO
SMILES
C[C@@H](CNC)CO
InChI
InChI=1S/C5H13NO/c1-5(4-7)3-6-2/h5-7H,3-4H2,1-2H3/t5-/m0/s1
InChIKey
QIMXXSHKYGRQBW-YFKPBYRVSA-N
Compound name
(2S)-2-methyl-3-(methylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

103.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.8
[M+Na]+ 126.08894 128.8
[M-H]- 102.09244 121.8
[M+NH4]+ 121.13354 145.0
[M+K]+ 142.06288 128.8
[M+H-H2O]+ 86.096980 118.3
[M+HCOO]- 148.09792 145.6
[M+CH3COO]- 162.11357 169.1
[M+Na-2H]- 124.07439 128.7
[M]+ 103.09917 121.7
[M]- 103.10027 121.7
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.