CID 170254

4-aminobutan-2-ol

Structural Information

Molecular Formula
C4H11NO
SMILES
CC(CCN)O
InChI
InChI=1S/C4H11NO/c1-4(6)2-3-5/h4,6H,2-3,5H2,1H3
InChIKey
NAXUFNXWXFZVSI-UHFFFAOYSA-N
Compound name
4-aminobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

4391
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

literature stripe

Patent stripe

patents stripe