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

6211
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]+ 112.07328 125.1
[M-H]- 88.076784 117.3
[M+NH4]+ 107.11788 141.1
[M+K]+ 128.04722 125.0
[M+H-H2O]+ 72.081320 114.4
[M+HCOO]- 134.08226 141.1
[M+CH3COO]- 148.09791 165.3
[M+Na-2H]- 110.05873 124.0
[M]+ 89.083511 116.1
[M]- 89.084609 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