CID 688298

1,1-dimethylethyl (2s)-2-((methoxymethylamino)carbonyl)-1-pyrrolidinecarboxylate

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(C)OC
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-6-7-9(14)10(15)13(4)17-5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKey
KPVRHJIGNMLCHG-VIFPVBQESA-N
Compound name
tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

258.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 160.3
[M+Na]+ 281.147178 165.0
[M-H]- 257.150684 163.5
[M+NH4]+ 276.191783 178.1
[M+K]+ 297.121118 166.7
[M+H-H2O]+ 241.155220 154.0
[M+HCOO]- 303.156161 179.7
[M+CH3COO]- 317.171811 199.1
[M+Na-2H]- 279.132626 160.6
[M]+ 258.15741142 162.9
[M]- 258.15850858 162.9
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

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