CID 56410

92384-46-8

Structural Information

Molecular Formula
C7H19N4
SMILES
C[N+](C)(C)CCCN=C(N)N
InChI
InChI=1S/C7H19N4/c1-11(2,3)6-4-5-10-7(8)9/h4-6H2,1-3H3,(H4,8,9,10)/q+1
InChIKey
WLVDKDLXQDTJOJ-UHFFFAOYSA-N
Compound name
3-(diaminomethylideneamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.16096 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.16824 131.7
[M+Na]+ 182.15018 136.5
[M-H]- 158.15368 134.0
[M+NH4]+ 177.19478 152.3
[M+K]+ 198.12412 131.6
[M+H-H2O]+ 142.15822 128.6
[M+HCOO]- 204.15916 158.1
[M+CH3COO]- 218.17481 186.2
[M+Na-2H]- 180.13563 140.1
[M]+ 159.16041 128.2
[M]- 159.16151 128.2
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

No patent data available for this compound.