CID 15735985

84348-39-0

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC(=C)C[C@H]1C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-8-6-9(10(14)16-5)13(7-8)11(15)17-12(2,3)4/h9H,1,6-7H2,2-5H3/t9-/m0/s1
InChIKey
CEEDNDKFZGTXOZ-VIFPVBQESA-N
Compound name
1-O-tert-butyl 2-O-methyl (2S)-4-methylidenepyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

241.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 154.7
[M+Na]+ 264.120628 161.5
[M-H]- 240.124134 157.0
[M+NH4]+ 259.165233 173.2
[M+K]+ 280.094568 161.2
[M+H-H2O]+ 224.128670 149.5
[M+HCOO]- 286.129611 172.8
[M+CH3COO]- 300.145261 191.0
[M+Na-2H]- 262.106076 154.7
[M]+ 241.13086142 156.6
[M]- 241.13195858 156.6
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