CID 21481278

1-(propan-2-yl)pyrrolidin-3-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)N1CCC(=O)C1
InChI
InChI=1S/C7H13NO/c1-6(2)8-4-3-7(9)5-8/h6H,3-5H2,1-2H3
InChIKey
HWTOGAWRASXJNF-UHFFFAOYSA-N
Compound name
1-propan-2-ylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

127.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 127.2
[M+Na]+ 150.088938 134.3
[M-H]- 126.092444 129.3
[M+NH4]+ 145.133543 149.9
[M+K]+ 166.062878 134.0
[M+H-H2O]+ 110.096980 121.6
[M+HCOO]- 172.097921 148.3
[M+CH3COO]- 186.113571 171.9
[M+Na-2H]- 148.074386 130.2
[M]+ 127.09917142 125.2
[M]- 127.10026858 125.2
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