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]+ 213.207376 149.7
[M+Na]+ 235.189318 151.5
[M-H]- 211.192824 152.7
[M+NH4]+ 230.233923 165.4
[M+K]+ 251.163258 155.1
[M+H-H2O]+ 195.197360 141.3
[M+HCOO]- 257.198301 169.7
[M+CH3COO]- 271.213951 199.7
[M+Na-2H]- 233.174766 150.5
[M]+ 212.19955142 140.7
[M]- 212.20064858 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.