CID 16227750

180975-51-3

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1

InChIKey

NYGXZCRPVBPJTA-DTWKUNHWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 413
Patents: 212.15248 Da
Monoisotopic Mass: 0.9
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]+	213.159756	154.0
[M+Na]+	235.141698	159.6
[M-H]-	211.145204	153.9
[M+NH4]+	230.186303	174.0
[M+K]+	251.115638	158.1
[M+H-H2O]+	195.149740	148.2
[M+HCOO]-	257.150681	168.8
[M+CH3COO]-	271.166331	182.5
[M+Na-2H]-	233.127146	154.6
[M]+	212.15193142	151.0
[M]-	212.15302858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe