CID 3026353

Ammonium, (3-(amidinothio)propyl)trimethyl-, bromide, hydrobromide

Structural Information

Molecular Formula
C7H18N3S
SMILES
C[N+](C)(C)CCCSC(=N)N
InChI
InChI=1S/C7H18N3S/c1-10(2,3)5-4-6-11-7(8)9/h4-6H2,1-3H3,(H3,8,9)/q+1
InChIKey
YESHNQDZPYEMKW-UHFFFAOYSA-N
Compound name
3-carbamimidoylsulfanylpropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.129426 133.5
[M+Na]+ 199.111368 138.4
[M-H]- 175.114874 134.7
[M+NH4]+ 194.155973 153.6
[M+K]+ 215.085308 131.6
[M+H-H2O]+ 159.119410 130.4
[M+HCOO]- 221.120351 152.3
[M+CH3COO]- 235.136001 183.1
[M+Na-2H]- 197.096816 139.1
[M]+ 176.12160142 131.5
[M]- 176.12269858 131.5
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.