CID 19089740

1-methyl-5-oxopyrrolidine-2-carbaldehyde

Structural Information

Molecular Formula
C6H9NO2
SMILES
CN1C(CCC1=O)C=O
InChI
InChI=1S/C6H9NO2/c1-7-5(4-8)2-3-6(7)9/h4-5H,2-3H2,1H3
InChIKey
OTKGOSOTGGCFER-UHFFFAOYSA-N
Compound name
1-methyl-5-oxopyrrolidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

127.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 123.1
[M+Na]+ 150.052548 132.0
[M-H]- 126.056054 125.6
[M+NH4]+ 145.097153 145.9
[M+K]+ 166.026488 131.3
[M+H-H2O]+ 110.060590 117.8
[M+HCOO]- 172.061531 145.9
[M+CH3COO]- 186.077181 170.2
[M+Na-2H]- 148.037996 127.3
[M]+ 127.06278142 122.4
[M]- 127.06387858 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe