CID 529251

133447-37-7

Structural Information

Molecular Formula
C7H11NO
SMILES
CCC(=O)C1=NCCC1
InChI
InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3
InChIKey
OVNCGQSYSSYBPO-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-pyrrol-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

194
Patents

125.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.9
[M+Na]+ 148.07328 133.0
[M-H]- 124.07678 127.9
[M+NH4]+ 143.11788 148.3
[M+K]+ 164.04722 132.5
[M+H-H2O]+ 108.08132 119.9
[M+HCOO]- 170.08226 148.5
[M+CH3COO]- 184.09791 170.4
[M+Na-2H]- 146.05873 130.5
[M]+ 125.08351 124.9
[M]- 125.08461 124.9
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