CID 57419605

569667-93-2

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(=O)N(C)OC
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-7-6-9(8-14)10(15)13(4)17-5/h9H,6-8H2,1-5H3
InChIKey
LAAAMOQBIKIHLV-UHFFFAOYSA-N
Compound name
tert-butyl 3-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

258.15796 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 160.3
[M+Na]+ 281.14718 165.0
[M-H]- 257.15068 163.5
[M+NH4]+ 276.19178 178.1
[M+K]+ 297.12112 166.7
[M+H-H2O]+ 241.15522 154.0
[M+HCOO]- 303.15616 179.7
[M+CH3COO]- 317.17181 199.1
[M+Na-2H]- 279.13263 160.6
[M]+ 258.15741 162.9
[M]- 258.15851 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

No literature data available for this compound.

Patent stripe

patents stripe