CID 444570

1-methyl-2-oxy-5,5-dimethyl pyrrolidine

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1(CCC(=O)N1C)C
InChI
InChI=1S/C7H13NO/c1-7(2)5-4-6(9)8(7)3/h4-5H2,1-3H3
InChIKey
YARDEGUIPATLSG-UHFFFAOYSA-N
Compound name
1,5,5-trimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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

literature stripe

Patent stripe

patents stripe