CID 14614607

146679-52-9

Structural Information

Molecular Formula
C5H9NO
SMILES
CC1CCC=[N+]1[O-]
InChI
InChI=1S/C5H9NO/c1-5-3-2-4-6(5)7/h4-5H,2-3H2,1H3
InChIKey
CCASPWMLIWTWPX-UHFFFAOYSA-N
Compound name
2-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

99.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 118.5
[M+Na]+ 122.057628 127.0
[M-H]- 98.061134 119.8
[M+NH4]+ 117.102233 141.5
[M+K]+ 138.031568 121.9
[M+H-H2O]+ 82.065670 118.3
[M+HCOO]- 144.066611 141.7
[M+CH3COO]- 158.082261 155.9
[M+Na-2H]- 120.043076 126.2
[M]+ 99.06786142 114.8
[M]- 99.06895858 114.8
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