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 157.6
[M+NH4]+ 235.15870 157.5
[M+K]+ 256.08804 150.6
[M-H]- 216.11760 153.2
[M+Na-2H]- 238.09955 152.9
[M]+ 217.12433 152.0
[M]- 217.12543 152.0
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.