CID 4340571

Gold's reagent

Structural Information

Molecular Formula
C6H14N3
SMILES
CN(C)C=NC=[N+](C)C
InChI
InChI=1S/C6H14N3/c1-8(2)5-7-6-9(3)4/h5-6H,1-4H3/q+1
InChIKey
JJGJHEBEAKCISL-UHFFFAOYSA-N
Compound name
(dimethylaminomethylideneamino)methylidene-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

653
Patents

128.11877 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.126046 126.1
[M+Na]+ 151.107988 132.3
[M-H]- 127.111494 131.1
[M+NH4]+ 146.152593 149.2
[M+K]+ 167.081928 129.2
[M+H-H2O]+ 111.116030 122.9
[M+HCOO]- 173.116971 155.6
[M+CH3COO]- 187.132621 181.3
[M+Na-2H]- 149.093436 135.1
[M]+ 128.11822142 126.5
[M]- 128.11931858 126.5
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

patents stripe