CID 13672470

4-aminobut-2-en-1-ol

Structural Information

Molecular Formula
C4H9NO
SMILES
C(/C=C/CO)N
InChI
InChI=1S/C4H9NO/c5-3-1-2-4-6/h1-2,6H,3-5H2/b2-1+
InChIKey
VVBVTZZZFFHHSP-OWOJBTEDSA-N
Compound name
(E)-4-aminobut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

87.06841 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 116.6
[M+Na]+ 110.057628 123.7
[M-H]- 86.061134 115.3
[M+NH4]+ 105.102233 139.3
[M+K]+ 126.031568 122.6
[M+H-H2O]+ 70.065670 112.5
[M+HCOO]- 132.066611 140.4
[M+CH3COO]- 146.082261 162.8
[M+Na-2H]- 108.043076 123.4
[M]+ 87.06786142 114.0
[M]- 87.06895858 114.0
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