CID 200822

(2-(hexahydro-3,5-dimethyl-1h-azepin-1-yl)ethyl)guanidine sulfate

Structural Information

Molecular Formula
C11H24N4
SMILES
CC1CCN(CC(C1)C)CCN=C(N)N
InChI
InChI=1S/C11H24N4/c1-9-3-5-15(8-10(2)7-9)6-4-14-11(12)13/h9-10H,3-8H2,1-2H3,(H4,12,13,14)
InChIKey
JBRSRLSMVLWHFX-UHFFFAOYSA-N
Compound name
2-[2-(3,5-dimethylazepan-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.2001 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.20738 149.7
[M+Na]+ 235.18932 151.5
[M-H]- 211.19282 152.7
[M+NH4]+ 230.23392 165.4
[M+K]+ 251.16326 155.1
[M+H-H2O]+ 195.19736 141.3
[M+HCOO]- 257.19830 169.7
[M+CH3COO]- 271.21395 199.7
[M+Na-2H]- 233.17477 150.5
[M]+ 212.19955 140.7
[M]- 212.20065 140.7
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.