CID 68767754

3-(dimethylamino)pyrrolidin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CN(C)C1CCNC1=O
InChI
InChI=1S/C6H12N2O/c1-8(2)5-3-4-7-6(5)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKey
GNLRYOSSZLRSSY-UHFFFAOYSA-N
Compound name
3-(dimethylamino)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

128.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 126.8
[M+Na]+ 151.08418 133.3
[M-H]- 127.08768 128.9
[M+NH4]+ 146.12878 149.0
[M+K]+ 167.05812 133.1
[M+H-H2O]+ 111.09222 120.7
[M+HCOO]- 173.09316 149.2
[M+CH3COO]- 187.10881 173.6
[M+Na-2H]- 149.06963 130.6
[M]+ 128.09441 123.5
[M]- 128.09551 123.5
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