CID 226831

3-aminobutan-2-ol

Structural Information

Molecular Formula
C4H11NO
SMILES
CC(C(C)O)N
InChI
InChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3
InChIKey
FERWBXLFSBWTDE-UHFFFAOYSA-N
Compound name
3-aminobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2861
Patents

89.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.091336 119.1
[M+Na]+ 112.073278 125.4
[M-H]- 88.076784 117.9
[M+NH4]+ 107.117883 141.6
[M+K]+ 128.047218 125.8
[M+H-H2O]+ 72.081320 115.0
[M+HCOO]- 134.082261 140.7
[M+CH3COO]- 148.097911 166.2
[M+Na-2H]- 110.058726 123.2
[M]+ 89.08351142 115.9
[M]- 89.08460858 115.9
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