CID 19903

Triaminoguanidine hydrochloride

Structural Information

Molecular Formula
CH8N6
SMILES
C(=NN)(NN)NN
InChI
InChI=1S/CH8N6/c2-5-1(6-3)7-4/h2-4H2,(H2,5,6,7)
InChIKey
RTZLPSUDDQWQGE-UHFFFAOYSA-N
Compound name
1,2,3-triaminoguanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1131
Patents

104.08105 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.08833 115.0
[M+Na]+ 127.07027 120.0
[M-H]- 103.07377 116.0
[M+NH4]+ 122.11487 135.8
[M+K]+ 143.04421 120.9
[M+H-H2O]+ 87.078310 108.2
[M+HCOO]- 149.07925 145.0
[M+CH3COO]- 163.09490 181.4
[M+Na-2H]- 125.05572 122.0
[M]+ 104.08050 106.9
[M]- 104.08160 106.9
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