CID 1502098

204688-61-9

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-5-4-8(7-12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey
SKEXQIJIXQSFRX-QMMMGPOBSA-N
Compound name
2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

587
Patents

229.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 153.0
[M+Na]+ 252.12063 159.4
[M+NH4]+ 247.16523 157.9
[M+K]+ 268.09457 159.2
[M-H]- 228.12413 149.9
[M+Na-2H]- 250.10608 153.4
[M]+ 229.13086 152.4
[M]- 229.13196 152.4
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