CID 197777

Gemedine

Structural Information

Molecular Formula
C9H20N4
SMILES
C1CCCN(CC1)CCN=C(N)N
InChI
InChI=1S/C9H20N4/c10-9(11)12-5-8-13-6-3-1-2-4-7-13/h1-8H2,(H4,10,11,12)
InChIKey
QADKYECOIABVIL-UHFFFAOYSA-N
Compound name
2-[2-(azepan-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

184.1688 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.17608 140.5
[M+Na]+ 207.15802 141.2
[M-H]- 183.16152 143.0
[M+NH4]+ 202.20262 156.5
[M+K]+ 223.13196 145.0
[M+H-H2O]+ 167.16606 131.9
[M+HCOO]- 229.16700 161.0
[M+CH3COO]- 243.18265 191.7
[M+Na-2H]- 205.14347 143.6
[M]+ 184.16825 130.1
[M]- 184.16935 130.1
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

patents stripe