CID 59569555

1161428-99-4

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(COC)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-5-12(7-13,8-17-4)9(14)15/h5-8H2,1-4H3,(H,14,15)
InChIKey
KLDROUZGWFRUEZ-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

259.14197 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 158.7
[M+Na]+ 282.13119 164.4
[M-H]- 258.13469 159.3
[M+NH4]+ 277.17579 177.4
[M+K]+ 298.10513 164.7
[M+H-H2O]+ 242.13923 154.3
[M+HCOO]- 304.14017 175.3
[M+CH3COO]- 318.15582 190.4
[M+Na-2H]- 280.11664 160.5
[M]+ 259.14142 160.9
[M]- 259.14252 160.9
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