CID 10080339

Pyrrolidine, 1-methyl-, 1-oxide

Structural Information

Molecular Formula
C5H11NO
SMILES
C[N+]1(CCCC1)[O-]
InChI
InChI=1S/C5H11NO/c1-6(7)4-2-3-5-6/h2-5H2,1H3
InChIKey
YIZTVEDOQDZLOH-UHFFFAOYSA-N
Compound name
1-methyl-1-oxidopyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

861
Patents

101.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 118.3
[M+Na]+ 124.07328 125.7
[M-H]- 100.07678 119.2
[M+NH4]+ 119.11788 143.0
[M+K]+ 140.04722 120.8
[M+H-H2O]+ 84.081320 118.8
[M+HCOO]- 146.08226 140.0
[M+CH3COO]- 160.09791 154.9
[M+Na-2H]- 122.05873 126.8
[M]+ 101.08351 112.7
[M]- 101.08461 112.7
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