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]+	160.090296	133.0
[M+Na]+	182.072238	140.0
[M-H]-	158.075744	131.9
[M+NH4]+	177.116843	152.4
[M+K]+	198.046178	137.0
[M+H-H2O]+	142.080280	126.2
[M+HCOO]-	204.081221	148.9
[M+CH3COO]-	218.096871	172.8
[M+Na-2H]-	180.057686	134.7
[M]+	159.08247142	130.7
[M]-	159.08356858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe