CID 3087532

Brn 0117483

Structural Information

Molecular Formula

SMILES

CC12CCC(=O)N1CCS2

InChI

InChI=1S/C7H11NOS/c1-7-3-2-6(9)8(7)4-5-10-7/h2-5H2,1H3

InChIKey

LKJRXJIVGFDIPA-UHFFFAOYSA-N

Compound name

7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 157.05614 Da
Monoisotopic Mass: 0.6
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]+	158.06342	134.2
[M+Na]+	180.04536	143.0
[M+NH4]+	175.08996	145.3
[M+K]+	196.01930	137.0
[M-H]-	156.04886	135.0
[M+Na-2H]-	178.03081	137.9
[M]+	157.05559	136.1
[M]-	157.05669	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe