CID 20917

Usaf pd-4

Structural Information

Molecular Formula

C₆H₁₃N₃S

SMILES

C1CN=C(N1)SCCCN

InChI

InChI=1S/C6H13N3S/c7-2-1-5-10-6-8-3-4-9-6/h1-5,7H2,(H,8,9)

InChIKey

AYBMEHAMAKJASD-UHFFFAOYSA-N

Compound name

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.08302 Da
Monoisotopic Mass: -0.4
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]+	160.09030	133.5
[M+Na]+	182.07224	141.9
[M+NH4]+	177.11684	141.4
[M+K]+	198.04618	136.4
[M-H]-	158.07574	133.8
[M+Na-2H]-	180.05769	136.9
[M]+	159.08247	134.8
[M]-	159.08357	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe