CID 6453412

1,1,3,3-tetramethylguanidinium azide

Structural Information

Molecular Formula
C5H12N3
SMILES
CN(C)C(=N)[N+](=C)C
InChI
InChI=1S/C5H12N3/c1-7(2)5(6)8(3)4/h6H,1H2,2-4H3/q+1
InChIKey
YIHHCLQDBOWRFF-UHFFFAOYSA-N
Compound name
(N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

114.10312 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11040 122.0
[M+Na]+ 137.09234 128.0
[M-H]- 113.09584 125.9
[M+NH4]+ 132.13694 144.9
[M+K]+ 153.06628 124.7
[M+H-H2O]+ 97.100380 119.4
[M+HCOO]- 159.10132 149.3
[M+CH3COO]- 173.11697 176.1
[M+Na-2H]- 135.07779 129.8
[M]+ 114.10257 119.5
[M]- 114.10367 119.5
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

No patent data available for this compound.