CID 5114908

3,3-dimethylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H11NO
SMILES
CC1(CCNC1=O)C
InChI
InChI=1S/C6H11NO/c1-6(2)3-4-7-5(6)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
IYZVTTRRGCJXGK-UHFFFAOYSA-N
Compound name
3,3-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

555
Patents

113.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.9
[M+Na]+ 136.07328 130.2
[M-H]- 112.07678 123.0
[M+NH4]+ 131.11788 146.5
[M+K]+ 152.04722 128.9
[M+H-H2O]+ 96.081320 117.6
[M+HCOO]- 158.08226 142.9
[M+CH3COO]- 172.09791 164.8
[M+Na-2H]- 134.05873 127.4
[M]+ 113.08351 118.6
[M]- 113.08461 118.6
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