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

35
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]+ 110.05763 123.7
[M-H]- 86.061134 115.3
[M+NH4]+ 105.10223 139.3
[M+K]+ 126.03157 122.6
[M+H-H2O]+ 70.065670 112.5
[M+HCOO]- 132.06661 140.4
[M+CH3COO]- 146.08226 162.8
[M+Na-2H]- 108.04308 123.4
[M]+ 87.067861 114.0
[M]- 87.068959 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