CID 5702635

313995-40-3

Structural Information

Molecular Formula
C4H9NO
SMILES
C=C[C@H](CO)N
InChI
InChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2/t4-/m1/s1
InChIKey
RKBAYXYCMQLBCZ-SCSAIBSYSA-N
Compound name
(2R)-2-aminobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
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 116.3
[M+Na]+ 110.05763 125.4
[M+NH4]+ 105.10223 124.1
[M+K]+ 126.03157 121.1
[M-H]- 86.061134 115.6
[M+Na-2H]- 108.04308 119.7
[M]+ 87.067861 117.0
[M]- 87.068959 117.0
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