CID 90329951

1621508-13-1

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CCCC1(CO)C(=O)OC
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-7-5-6-12(13,8-14)9(15)17-4/h14H,5-8H2,1-4H3
InChIKey
XUAIAMRZYGVUOP-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-methyl 2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

259.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.0
[M+Na]+ 282.13119 164.8
[M-H]- 258.13469 159.6
[M+NH4]+ 277.17579 177.7
[M+K]+ 298.10513 165.1
[M+H-H2O]+ 242.13923 154.6
[M+HCOO]- 304.14017 175.6
[M+CH3COO]- 318.15582 189.8
[M+Na-2H]- 280.11664 160.8
[M]+ 259.14142 161.0
[M]- 259.14252 161.0
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