CID 22670723

3,4,5-trimethylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1C(C(=O)NC1C)C
InChI
InChI=1S/C7H13NO/c1-4-5(2)7(9)8-6(4)3/h4-6H,1-3H3,(H,8,9)
InChIKey
SOPHRCJZGNBNCM-UHFFFAOYSA-N
Compound name
3,4,5-trimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

127.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.4
[M+Na]+ 150.08894 135.2
[M-H]- 126.09244 127.7
[M+NH4]+ 145.13354 149.1
[M+K]+ 166.06288 133.4
[M+H-H2O]+ 110.09698 121.7
[M+HCOO]- 172.09792 147.0
[M+CH3COO]- 186.11357 170.6
[M+Na-2H]- 148.07439 128.8
[M]+ 127.09917 123.9
[M]- 127.10027 123.9
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