CID 25831

N,n'''-ethylenebisguanidine dihydrochloride

Structural Information

Molecular Formula
C4H12N6
SMILES
C(CN=C(N)N)N=C(N)N
InChI
InChI=1S/C4H12N6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H4,5,6,9)(H4,7,8,10)
InChIKey
MRXYVMXWTBRRSB-UHFFFAOYSA-N
Compound name
2-[2-(diaminomethylideneamino)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

144.11235 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.11963 128.7
[M+Na]+ 167.10157 132.8
[M-H]- 143.10507 130.0
[M+NH4]+ 162.14617 148.1
[M+K]+ 183.07551 133.5
[M+H-H2O]+ 127.10961 121.2
[M+HCOO]- 189.11055 157.7
[M+CH3COO]- 203.12620 193.0
[M+Na-2H]- 165.08702 132.3
[M]+ 144.11180 121.2
[M]- 144.11290 121.2
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