CID 38426

Acetamidine, 2-mercapto-n-(3-morpholinopropyl)-, dihydrochloride

Structural Information

Molecular Formula
C9H19N3OS
SMILES
C1COCCN1CCCN=C(CS)N
InChI
InChI=1S/C9H19N3OS/c10-9(8-14)11-2-1-3-12-4-6-13-7-5-12/h14H,1-8H2,(H2,10,11)
InChIKey
QSMUCTFSXCXAPT-UHFFFAOYSA-N
Compound name
N'-(3-morpholin-4-ylpropyl)-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.12488 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13216 150.0
[M+Na]+ 240.11410 153.3
[M-H]- 216.11760 152.3
[M+NH4]+ 235.15870 165.8
[M+K]+ 256.08804 152.5
[M+H-H2O]+ 200.12214 142.1
[M+HCOO]- 262.12308 165.0
[M+CH3COO]- 276.13873 191.8
[M+Na-2H]- 238.09955 151.9
[M]+ 217.12433 148.1
[M]- 217.12543 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.