CID 42788

Pentanediguanidine dihydrochloride

Structural Information

Molecular Formula
C7H18N6
SMILES
C(CCN=C(N)N)CCN=C(N)N
InChI
InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)
InChIKey
FIHKQNOFFQZHRM-UHFFFAOYSA-N
Compound name
2-[5-(diaminomethylideneamino)pentyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

70
Patents

186.1593 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.16658 141.6
[M+Na]+ 209.14852 144.4
[M-H]- 185.15202 142.4
[M+NH4]+ 204.19312 159.4
[M+K]+ 225.12246 144.5
[M+H-H2O]+ 169.15656 133.5
[M+HCOO]- 231.15750 169.7
[M+CH3COO]- 245.17315 202.1
[M+Na-2H]- 207.13397 143.8
[M]+ 186.15875 135.2
[M]- 186.15985 135.2
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