CID 3631057

3,3,5-trimethyl-2-pyrrolidinone

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1CC(C(=O)N1)(C)C
InChI
InChI=1S/C7H13NO/c1-5-4-7(2,3)6(9)8-5/h5H,4H2,1-3H3,(H,8,9)
InChIKey
UIHSTNXWLQMGGF-UHFFFAOYSA-N
Compound name
3,3,5-trimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
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 125.3
[M+Na]+ 150.088938 134.1
[M-H]- 126.092444 126.6
[M+NH4]+ 145.133543 149.7
[M+K]+ 166.062878 132.5
[M+H-H2O]+ 110.096980 121.2
[M+HCOO]- 172.097921 146.0
[M+CH3COO]- 186.113571 169.0
[M+Na-2H]- 148.074386 129.7
[M]+ 127.09917142 122.7
[M]- 127.10026858 122.7
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