CID 640990

(2s)-3-amino-2-methylpropan-1-ol

Structural Information

Molecular Formula
C4H11NO
SMILES
C[C@@H](CN)CO
InChI
InChI=1S/C4H11NO/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKey
FVXBTPGZQMNAEZ-BYPYZUCNSA-N
Compound name
(2S)-3-amino-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6944
Patents

89.08406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.091336 118.6
[M+Na]+ 112.073278 125.1
[M-H]- 88.076784 117.3
[M+NH4]+ 107.117883 141.1
[M+K]+ 128.047218 125.0
[M+H-H2O]+ 72.081320 114.4
[M+HCOO]- 134.082261 141.1
[M+CH3COO]- 148.097911 165.3
[M+Na-2H]- 110.058726 124.0
[M]+ 89.08351142 116.1
[M]- 89.08460858 116.1
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

patents stripe