CID 43410013

Methyl 1-(3-acetamidopropanoyl)pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CC(=O)NCCC(=O)N1CCCC1C(=O)OC
InChI
InChI=1S/C11H18N2O4/c1-8(14)12-6-5-10(15)13-7-3-4-9(13)11(16)17-2/h9H,3-7H2,1-2H3,(H,12,14)
InChIKey
DVLXODOAGZLWIB-UHFFFAOYSA-N
Compound name
methyl 1-(3-acetamidopropanoyl)pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 156.2
[M+Na]+ 265.115878 160.6
[M-H]- 241.119384 157.8
[M+NH4]+ 260.160483 173.5
[M+K]+ 281.089818 160.5
[M+H-H2O]+ 225.123920 149.3
[M+HCOO]- 287.124861 176.1
[M+CH3COO]- 301.140511 193.0
[M+Na-2H]- 263.101326 155.3
[M]+ 242.12611142 156.2
[M]- 242.12720858 156.2
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

No patent data available for this compound.