CID 21025953

1,5,5-trimethylpyrrolidin-3-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1(CC(=O)CN1C)C
InChI
InChI=1S/C7H13NO/c1-7(2)4-6(9)5-8(7)3/h4-5H2,1-3H3
InChIKey
FFMZNWQZSSNWHV-UHFFFAOYSA-N
Compound name
1,5,5-trimethylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

127.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 124.0
[M+Na]+ 150.088938 133.2
[M-H]- 126.092444 126.7
[M+NH4]+ 145.133543 149.1
[M+K]+ 166.062878 132.6
[M+H-H2O]+ 110.096980 119.7
[M+HCOO]- 172.097921 146.2
[M+CH3COO]- 186.113571 171.7
[M+Na-2H]- 148.074386 129.0
[M]+ 127.09917142 123.3
[M]- 127.10026858 123.3
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