CID 13082302

5-(propan-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)C1CCC(=O)N1
InChI
InChI=1S/C7H13NO/c1-5(2)6-3-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKey
IASLVFGXHJQWAB-UHFFFAOYSA-N
Compound name
5-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

127.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 128.2
[M+Na]+ 150.088938 134.9
[M-H]- 126.092444 128.9
[M+NH4]+ 145.133543 150.2
[M+K]+ 166.062878 133.6
[M+H-H2O]+ 110.096980 122.8
[M+HCOO]- 172.097921 147.8
[M+CH3COO]- 186.113571 169.2
[M+Na-2H]- 148.074386 130.7
[M]+ 127.09917142 124.3
[M]- 127.10026858 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe