CID 233916

1-aminobut-3-en-2-ol hydrochloride

Structural Information

Molecular Formula
C4H9NO
SMILES
C=CC(CN)O
InChI
InChI=1S/C4H9NO/c1-2-4(6)3-5/h2,4,6H,1,3,5H2
InChIKey
VEPSIZZAILVTSD-UHFFFAOYSA-N
Compound name
1-aminobut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

99
Patents

87.06841 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 117.2
[M+Na]+ 110.05763 124.0
[M-H]- 86.061134 115.9
[M+NH4]+ 105.10223 139.7
[M+K]+ 126.03157 123.2
[M+H-H2O]+ 70.065670 113.0
[M+HCOO]- 132.06661 139.9
[M+CH3COO]- 146.08226 164.4
[M+Na-2H]- 108.04308 122.6
[M]+ 87.067861 113.9
[M]- 87.068959 113.9
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