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]+ 243.13394 156.2
[M+Na]+ 265.11588 160.6
[M-H]- 241.11938 157.8
[M+NH4]+ 260.16048 173.5
[M+K]+ 281.08982 160.5
[M+H-H2O]+ 225.12392 149.3
[M+HCOO]- 287.12486 176.1
[M+CH3COO]- 301.14051 193.0
[M+Na-2H]- 263.10133 155.3
[M]+ 242.12611 156.2
[M]- 242.12721 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.