CID 13708663

Schembl507605

Structural Information

Molecular Formula
CH8N6
SMILES
C(=N\N)(\N)/N(N)N
InChI
InChI=1S/CH8N6/c2-1(6-3)7(4)5/h3-5H2,(H2,2,6)
InChIKey
KPTSBKIDIWXFLF-UHFFFAOYSA-N
Compound name
1,1,2-triaminoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

636
Patents

104.08105 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.088326 116.6
[M+Na]+ 127.070268 121.6
[M-H]- 103.073774 118.4
[M+NH4]+ 122.114873 137.6
[M+K]+ 143.044208 123.6
[M+H-H2O]+ 87.078310 109.6
[M+HCOO]- 149.079251 146.4
[M+CH3COO]- 163.094901 184.8
[M+Na-2H]- 125.055716 121.7
[M]+ 104.08050142 108.7
[M]- 104.08159858 108.7
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