CID 53255455

887587-09-9

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-5-11(4,7-12)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKey
DTLBJDMWGRKALK-UHFFFAOYSA-N
Compound name
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

229.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 152.3
[M+Na]+ 252.12063 158.8
[M+NH4]+ 247.16523 158.6
[M+K]+ 268.09457 156.9
[M-H]- 228.12413 149.2
[M+Na-2H]- 250.10608 154.4
[M]+ 229.13086 152.0
[M]- 229.13196 152.0
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