CID 99894

Ethyl acetohydroximate

Structural Information

Molecular Formula
C4H9NO2
SMILES
CCOC(=NO)C
InChI
InChI=1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3
InChIKey
QWKAVVNRCKPKNM-UHFFFAOYSA-N
Compound name
ethyl N-hydroxyethanimidate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

327
Patents

103.06333 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.0
[M+Na]+ 126.05255 126.4
[M-H]- 102.05605 119.8
[M+NH4]+ 121.09715 142.1
[M+K]+ 142.02649 127.5
[M+H-H2O]+ 86.060590 114.5
[M+HCOO]- 148.06153 144.2
[M+CH3COO]- 162.07718 168.4
[M+Na-2H]- 124.03800 126.1
[M]+ 103.06278 120.1
[M]- 103.06388 120.1
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