CID 145869427

2343963-98-2

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC12CC(C1)C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-9(10(15)16)7-13-4-8(5-13)6-13/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)/t8?,9-,13?/m0/s1
InChIKey
ZRWHHHKRQKVBSE-JVVWGOMOSA-N
Compound name
(2S)-3-(1-bicyclo[1.1.1]pentanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

255.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 181.9
[M+Na]+ 278.13628 175.5
[M+NH4]+ 273.18088 178.1
[M+K]+ 294.11022 175.8
[M-H]- 254.13978 172.4
[M+Na-2H]- 276.12173 173.5
[M]+ 255.14651 175.3
[M]- 255.14761 175.3
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