CID 159662

2465-97-6

Structural Information

Molecular Formula
C9H23N7
SMILES
C(CCN=C(N)N)CNCCCN=C(N)N
InChI
InChI=1S/C9H23N7/c10-8(11)15-6-2-1-4-14-5-3-7-16-9(12)13/h14H,1-7H2,(H4,10,11,15)(H4,12,13,16)
InChIKey
KESWKVCUKVUPPR-UHFFFAOYSA-N
Compound name
2-[3-[4-(diaminomethylideneamino)butylamino]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

229.20149 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.20877 150.9
[M+Na]+ 252.19071 152.2
[M-H]- 228.19421 151.4
[M+NH4]+ 247.23531 166.6
[M+K]+ 268.16465 152.1
[M+H-H2O]+ 212.19875 141.9
[M+HCOO]- 274.19969 179.3
[M+CH3COO]- 288.21534 213.6
[M+Na-2H]- 250.17616 152.7
[M]+ 229.20094 144.6
[M]- 229.20204 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe