CID 82029

7529-22-8

Structural Information

Molecular Formula
C5H11NO2
SMILES
C[N+]1(CCOCC1)[O-]
InChI
InChI=1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3
InChIKey
LFTLOKWAGJYHHR-UHFFFAOYSA-N
Compound name
4-methyl-4-oxidomorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

91
References

55976
Patents

117.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 119.9
[M+Na]+ 140.06820 126.2
[M-H]- 116.07170 121.2
[M+NH4]+ 135.11280 140.8
[M+K]+ 156.04214 122.7
[M+H-H2O]+ 100.07624 119.9
[M+HCOO]- 162.07718 138.7
[M+CH3COO]- 176.09283 156.9
[M+Na-2H]- 138.05365 130.7
[M]+ 117.07843 114.4
[M]- 117.07953 114.4
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