CID 21016055

1,5-dimethylpyrrolidin-3-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1CC(=O)CN1C
InChI
InChI=1S/C6H11NO/c1-5-3-6(8)4-7(5)2/h5H,3-4H2,1-2H3
InChIKey
WGNSIHQTQHENSN-UHFFFAOYSA-N
Compound name
1,5-dimethylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

113.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.4
[M+Na]+ 136.07328 130.1
[M-H]- 112.07678 123.9
[M+NH4]+ 131.11788 145.0
[M+K]+ 152.04722 129.6
[M+H-H2O]+ 96.081320 116.3
[M+HCOO]- 158.08226 143.9
[M+CH3COO]- 172.09791 169.1
[M+Na-2H]- 134.05873 125.6
[M]+ 113.08351 120.1
[M]- 113.08461 120.1
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