CID 12761487

Methyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC1(C(=O)CCN1C(=O)OC)C
InChI
InChI=1S/C8H13NO3/c1-8(2)6(10)4-5-9(8)7(11)12-3/h4-5H2,1-3H3
InChIKey
NPFDVDIFQFIDOW-UHFFFAOYSA-N
Compound name
methyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

171.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 133.6
[M+Na]+ 194.07876 142.5
[M-H]- 170.08226 136.4
[M+NH4]+ 189.12336 156.9
[M+K]+ 210.05270 142.5
[M+H-H2O]+ 154.08680 129.2
[M+HCOO]- 216.08774 155.2
[M+CH3COO]- 230.10339 177.4
[M+Na-2H]- 192.06421 137.1
[M]+ 171.08899 134.8
[M]- 171.09009 134.8
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