CID 67345827

1784095-47-1

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)OC
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-5-11(7-12,16-4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKey
UIJNTGYEUVCROE-UHFFFAOYSA-N
Compound name
3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

245.12633 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.2
[M+Na]+ 268.11555 160.3
[M-H]- 244.11905 154.9
[M+NH4]+ 263.16015 173.4
[M+K]+ 284.08949 160.8
[M+H-H2O]+ 228.12359 150.0
[M+HCOO]- 290.12453 171.1
[M+CH3COO]- 304.14018 187.5
[M+Na-2H]- 266.10100 156.5
[M]+ 245.12578 156.0
[M]- 245.12688 156.0
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