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

1
Patents

127.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 123.1
[M+Na]+ 150.05255 132.0
[M-H]- 126.05605 125.6
[M+NH4]+ 145.09715 145.9
[M+K]+ 166.02649 131.3
[M+H-H2O]+ 110.06059 117.8
[M+HCOO]- 172.06153 145.9
[M+CH3COO]- 186.07718 170.2
[M+Na-2H]- 148.03800 127.3
[M]+ 127.06278 122.4
[M]- 127.06388 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