CID 10682697

193086-18-9

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1COCC(=O)O
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-5-9(13)7-17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKey
LXXMRJSJFZZOHU-VIFPVBQESA-N
Compound name
2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

259.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 160.5
[M+Na]+ 282.13119 165.2
[M-H]- 258.13469 160.7
[M+NH4]+ 277.17579 177.0
[M+K]+ 298.10513 165.2
[M+H-H2O]+ 242.13923 154.7
[M+HCOO]- 304.14017 177.0
[M+CH3COO]- 318.15582 190.9
[M+Na-2H]- 280.11664 160.6
[M]+ 259.14142 162.2
[M]- 259.14252 162.2
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