CID 13392591

Methyl 3-(methylsulfanyl)propanimidate hydrochloride

Structural Information

Molecular Formula
C5H11NOS
SMILES
COC(=N)CCSC
InChI
InChI=1S/C5H11NOS/c1-7-5(6)3-4-8-2/h6H,3-4H2,1-2H3
InChIKey
WBPSWFHPMCYDAL-UHFFFAOYSA-N
Compound name
methyl 3-methylsulfanylpropanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

133.05614 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 126.9
[M+Na]+ 156.04536 133.7
[M-H]- 132.04886 127.5
[M+NH4]+ 151.08996 149.1
[M+K]+ 172.01930 132.8
[M+H-H2O]+ 116.05340 121.9
[M+HCOO]- 178.05434 145.8
[M+CH3COO]- 192.06999 174.0
[M+Na-2H]- 154.03081 129.9
[M]+ 133.05559 129.0
[M]- 133.05669 129.0
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

patents stripe