CID 10909522

N-acetyl-2-pyrroline

Structural Information

Molecular Formula
C6H9NO
SMILES
CC(=O)N1CCC=C1
InChI
InChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3
InChIKey
CMFWLOPIOWBYCM-UHFFFAOYSA-N
Compound name
1-(2,3-dihydropyrrol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

111.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 121.4
[M+Na]+ 134.057628 129.0
[M-H]- 110.061134 123.6
[M+NH4]+ 129.102233 144.5
[M+K]+ 150.031568 128.8
[M+H-H2O]+ 94.065670 115.7
[M+HCOO]- 156.066611 144.3
[M+CH3COO]- 170.082261 166.7
[M+Na-2H]- 132.043076 126.6
[M]+ 111.06786142 120.0
[M]- 111.06895858 120.0
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