CID 4418021

2-(methylsulfanyl)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C3H8N2S
SMILES
CSCC(=N)N
InChI
InChI=1S/C3H8N2S/c1-6-2-3(4)5/h2H2,1H3,(H3,4,5)
InChIKey
IPXQJGJVWOCNPS-UHFFFAOYSA-N
Compound name
2-methylsulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

104.04082 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.048096 118.7
[M+Na]+ 127.030038 125.4
[M-H]- 103.033544 118.9
[M+NH4]+ 122.074643 141.3
[M+K]+ 143.003978 124.0
[M+H-H2O]+ 87.038080 113.6
[M+HCOO]- 149.039021 138.2
[M+CH3COO]- 163.054671 170.8
[M+Na-2H]- 125.015486 121.9
[M]+ 104.04027142 116.8
[M]- 104.04136858 116.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe