CID 21634101

3-ethyl-3-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CCC1(CCNC1=O)C
InChI
InChI=1S/C7H13NO/c1-3-7(2)4-5-8-6(7)9/h3-5H2,1-2H3,(H,8,9)
InChIKey
ZJIPQXKCGKZAKM-UHFFFAOYSA-N
Compound name
3-ethyl-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.5
[M+Na]+ 150.088938 134.3
[M-H]- 126.092444 127.4
[M+NH4]+ 145.133543 150.5
[M+K]+ 166.062878 132.7
[M+H-H2O]+ 110.096980 121.9
[M+HCOO]- 172.097921 147.1
[M+CH3COO]- 186.113571 167.9
[M+Na-2H]- 148.074386 131.4
[M]+ 127.09917142 123.5
[M]- 127.10026858 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

literature stripe

Patent stripe

patents stripe