CID 57685743

1056623-91-6

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CO)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(16)12-5-4-11(6-12,7-13)8(14)15/h13H,4-7H2,1-3H3,(H,14,15)
InChIKey
LYKXBIYDPYTDKO-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

245.12633 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 155.2
[M+Na]+ 268.115548 160.9
[M-H]- 244.119054 154.6
[M+NH4]+ 263.160153 173.7
[M+K]+ 284.089488 160.6
[M+H-H2O]+ 228.123590 151.2
[M+HCOO]- 290.124531 170.6
[M+CH3COO]- 304.140181 185.0
[M+Na-2H]- 266.100996 157.0
[M]+ 245.12578142 155.1
[M]- 245.12687858 155.1
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