CID 215695

36085-42-4

Structural Information

Molecular Formula

C₉H₁₅N₃S

SMILES

CCN1CCC2=C(CC1)SC(=N2)N

InChI

InChI=1S/C9H15N3S/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11)

InChIKey

RCHRZZVXKQKIQH-UHFFFAOYSA-N

Compound name

6-ethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 197.09866 Da
Monoisotopic Mass: 1.2
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]+	198.10594	141.5
[M+Na]+	220.08788	147.8
[M-H]-	196.09138	144.1
[M+NH4]+	215.13248	160.0
[M+K]+	236.06182	148.5
[M+H-H2O]+	180.09592	134.2
[M+HCOO]-	242.09686	155.9
[M+CH3COO]-	256.11251	152.9
[M+Na-2H]-	218.07333	142.6
[M]+	197.09811	137.3
[M]-	197.09921	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe