CID 394147

145681-01-2

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)OC
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3
InChIKey
WVDGSSCWFMSRHN-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

541
Patents

229.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 152.8
[M+Na]+ 252.12063 158.7
[M-H]- 228.12413 154.7
[M+NH4]+ 247.16523 171.5
[M+K]+ 268.09457 159.2
[M+H-H2O]+ 212.12867 147.2
[M+HCOO]- 274.12961 171.0
[M+CH3COO]- 288.14526 187.7
[M+Na-2H]- 250.10608 153.8
[M]+ 229.13086 154.5
[M]- 229.13196 154.5
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

patents stripe