CID 129410770

1-tert-butyl 2-methyl (2s)-2-formylpyrrolidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC[C@]1(C=O)C(=O)OC
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-7-5-6-12(13,8-14)9(15)17-4/h8H,5-7H2,1-4H3/t12-/m0/s1
InChIKey
NGLLYSIZCDSUPO-LBPRGKRZSA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S)-2-formylpyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 156.5
[M+Na]+ 280.11552 163.1
[M-H]- 256.11902 158.6
[M+NH4]+ 275.16012 175.9
[M+K]+ 296.08946 163.6
[M+H-H2O]+ 240.12356 152.0
[M+HCOO]- 302.12450 174.8
[M+CH3COO]- 316.14015 191.4
[M+Na-2H]- 278.10097 158.9
[M]+ 257.12575 159.8
[M]- 257.12685 159.8
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

No patent data available for this compound.