CID 200820

Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5h)-yl)ethyl)-, sulfate

Structural Information

Molecular Formula
C8H18N4S
SMILES
C1CN(CCSC1)CCN=C(N)N
InChI
InChI=1S/C8H18N4S/c9-8(10)11-2-4-12-3-1-6-13-7-5-12/h1-7H2,(H4,9,10,11)
InChIKey
JLWFFAAKLBIGAK-UHFFFAOYSA-N
Compound name
2-[2-(1,4-thiazepan-4-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12521 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13249 143.4
[M+Na]+ 225.11443 144.0
[M-H]- 201.11793 145.7
[M+NH4]+ 220.15903 159.0
[M+K]+ 241.08837 147.2
[M+H-H2O]+ 185.12247 134.6
[M+HCOO]- 247.12341 158.8
[M+CH3COO]- 261.13906 192.4
[M+Na-2H]- 223.09988 144.0
[M]+ 202.12466 134.4
[M]- 202.12576 134.4
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.