CID 123236

N,n',n''-trimethylguanidine

Structural Information

Molecular Formula
C4H11N3
SMILES
CNC(=NC)NC
InChI
InChI=1S/C4H11N3/c1-5-4(6-2)7-3/h1-3H3,(H2,5,6,7)
InChIKey
XKFPXMVATQCVKN-UHFFFAOYSA-N
Compound name
1,2,3-trimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

101.0953 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.102576 121.0
[M+Na]+ 124.084518 127.1
[M-H]- 100.088024 123.1
[M+NH4]+ 119.129123 144.2
[M+K]+ 140.058458 128.2
[M+H-H2O]+ 84.092560 115.5
[M+HCOO]- 146.093501 149.1
[M+CH3COO]- 160.109151 176.2
[M+Na-2H]- 122.069966 128.9
[M]+ 101.09475142 119.3
[M]- 101.09584858 119.3
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