CID 20753133

912563-45-2

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@H]2C1)O

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-10(14)5-9(8)7-13/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?

InChIKey

DIDQRACXWWEPDZ-ULKQDVFKSA-N

Compound name

tert-butyl (3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 271
Patents: 227.15215 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.159426	156.4
[M+Na]+	250.141368	162.4
[M-H]-	226.144874	157.9
[M+NH4]+	245.185973	177.4
[M+K]+	266.115308	161.1
[M+H-H2O]+	210.149410	151.9
[M+HCOO]-	272.150351	172.3
[M+CH3COO]-	286.166001	186.1
[M+Na-2H]-	248.126816	156.3
[M]+	227.15160142	155.0
[M]-	227.15269858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe