CID 56290

91747-51-2

Structural Information

Molecular Formula
C6H17N4
SMILES
C[N+](C)(C)CCN=C(N)N
InChI
InChI=1S/C6H17N4/c1-10(2,3)5-4-9-6(7)8/h4-5H2,1-3H3,(H4,7,8,9)/q+1
InChIKey
DDXMWRZVEXEGTE-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

145.14532 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15260 127.0
[M+Na]+ 168.13454 132.2
[M-H]- 144.13804 129.5
[M+NH4]+ 163.17914 148.2
[M+K]+ 184.10848 127.7
[M+H-H2O]+ 128.14258 124.2
[M+HCOO]- 190.14352 153.8
[M+CH3COO]- 204.15917 183.1
[M+Na-2H]- 166.11999 135.9
[M]+ 145.14477 123.2
[M]- 145.14587 123.2
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