CID 214864

Mteai

Structural Information

Molecular Formula
C10H24N3S
SMILES
CC[N+](CC)(CC)CCSC(=NC)N
InChI
InChI=1S/C10H24N3S/c1-5-13(6-2,7-3)8-9-14-10(11)12-4/h5-9H2,1-4H3,(H2,11,12)/q+1
InChIKey
MLCVEWJLDHYZCM-UHFFFAOYSA-N
Compound name
triethyl-[2-(N'-methylcarbamimidoyl)sulfanylethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.1691 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17638 147.3
[M+Na]+ 241.15832 151.5
[M-H]- 217.16182 149.5
[M+NH4]+ 236.20292 166.7
[M+K]+ 257.13226 144.9
[M+H-H2O]+ 201.16636 143.5
[M+HCOO]- 263.16730 166.7
[M+CH3COO]- 277.18295 194.2
[M+Na-2H]- 239.14377 151.9
[M]+ 218.16855 148.3
[M]- 218.16965 148.3
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.