CID 19401

Aethoxen

Structural Information

Molecular Formula
C6H11NO
SMILES
C=CC(CN1CC1)O
InChI
InChI=1S/C6H11NO/c1-2-6(8)5-7-3-4-7/h2,6,8H,1,3-5H2
InChIKey
MJVIZWIQHKRBPI-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

743
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 124.5
[M+Na]+ 136.07328 136.0
[M+NH4]+ 131.11788 132.8
[M+K]+ 152.04722 132.5
[M-H]- 112.07678 131.1
[M+Na-2H]- 134.05873 131.5
[M]+ 113.08351 128.8
[M]- 113.08461 128.8
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