CID 112756394

1803599-14-5

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1C(CCN1C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C12H21NO4/c1-8-9(10(14)16-5)6-7-13(8)11(15)17-12(2,3)4/h8-9H,6-7H2,1-5H3
InChIKey
FXGNPVCOVMTUBO-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 2-methylpyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

243.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.2
[M+Na]+ 266.13628 162.7
[M-H]- 242.13978 158.4
[M+NH4]+ 261.18088 174.7
[M+K]+ 282.11022 163.0
[M+H-H2O]+ 226.14432 150.9
[M+HCOO]- 288.14526 174.1
[M+CH3COO]- 302.16091 191.9
[M+Na-2H]- 264.12173 156.2
[M]+ 243.14651 158.8
[M]- 243.14761 158.8
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