CID 155897007

2649491-66-5

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂S

SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)SC(=C2)CN

InChI

InChI=1S/C12H18N2O2S/c1-12(2,3)16-11(15)14-6-8-4-9(5-13)17-10(8)7-14/h4H,5-7,13H2,1-3H3

InChIKey

PZECNZUKZUNFIH-UHFFFAOYSA-N

Compound name

tert-butyl 2-(aminomethyl)-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 254.1089 Da
Monoisotopic Mass: 0.8
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]+	255.116176	161.6
[M+Na]+	277.098118	169.7
[M-H]-	253.101624	165.0
[M+NH4]+	272.142723	182.7
[M+K]+	293.072058	167.6
[M+H-H2O]+	237.106160	156.8
[M+HCOO]-	299.107101	177.2
[M+CH3COO]-	313.122751	193.7
[M+Na-2H]-	275.083566	160.7
[M]+	254.10835142	164.6
[M]-	254.10944858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe