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

34
Patents

127.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 124.0
[M+Na]+ 150.08894 133.2
[M-H]- 126.09244 126.7
[M+NH4]+ 145.13354 149.1
[M+K]+ 166.06288 132.6
[M+H-H2O]+ 110.09698 119.7
[M+HCOO]- 172.09792 146.2
[M+CH3COO]- 186.11357 171.7
[M+Na-2H]- 148.07439 129.0
[M]+ 127.09917 123.3
[M]- 127.10027 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