CID 200828

Guanidine, (2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)ethyl)-, sulfate

Structural Information

Molecular Formula
C9H21N5
SMILES
CN1CCCN(CC1)CCN=C(N)N
InChI
InChI=1S/C9H21N5/c1-13-4-2-5-14(8-7-13)6-3-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)
InChIKey
GRDJENPSSXYEOA-UHFFFAOYSA-N
Compound name
2-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.1797 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.18698 145.1
[M+Na]+ 222.16892 147.0
[M-H]- 198.17242 146.8
[M+NH4]+ 217.21352 159.7
[M+K]+ 238.14286 150.8
[M+H-H2O]+ 182.17696 135.2
[M+HCOO]- 244.17790 164.5
[M+CH3COO]- 258.19355 195.5
[M+Na-2H]- 220.15437 147.8
[M]+ 199.17915 135.7
[M]- 199.18025 135.7
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.