CID 116326

64039-19-6

Structural Information

Molecular Formula

C₇H₁₅N₃S

SMILES

C1CCN(C1)CCSC(=N)N

InChI

InChI=1S/C7H15N3S/c8-7(9)11-6-5-10-3-1-2-4-10/h1-6H2,(H3,8,9)

InChIKey

ROTSZODIEPBOLI-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylethyl carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.09866 Da
Monoisotopic Mass: 0.7
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]+	174.10594	138.6
[M+Na]+	196.08788	145.0
[M+NH4]+	191.13248	146.5
[M+K]+	212.06182	140.0
[M-H]-	172.09138	139.8
[M+Na-2H]-	194.07333	141.2
[M]+	173.09811	139.8
[M]-	173.09921	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.