CID 44607718

2-({1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}oxy)acetic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)OCC(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-8(6-12)16-7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
MUEXFKAYCPIYPF-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

245.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 155.8
[M+Na]+ 268.11555 161.0
[M-H]- 244.11905 156.3
[M+NH4]+ 263.16015 172.9
[M+K]+ 284.08949 161.3
[M+H-H2O]+ 228.12359 150.3
[M+HCOO]- 290.12453 172.7
[M+CH3COO]- 304.14018 187.9
[M+Na-2H]- 266.10100 156.5
[M]+ 245.12578 157.2
[M]- 245.12688 157.2
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