CID 122243

22572-40-3

Structural Information

Molecular Formula
C9H20N3
SMILES
CCN=C=NCCC[N+](C)(C)C
InChI
InChI=1S/C9H20N3/c1-5-10-9-11-7-6-8-12(2,3)4/h5-8H2,1-4H3/q+1
InChIKey
JHMDMCSGQQLHNA-UHFFFAOYSA-N
Compound name
3-(ethyliminomethylideneamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

53
References

5336
Patents

170.16573 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17301 136.4
[M+Na]+ 193.15495 142.2
[M-H]- 169.15845 140.9
[M+NH4]+ 188.19955 158.3
[M+K]+ 209.12889 137.5
[M+H-H2O]+ 153.16299 133.3
[M+HCOO]- 215.16393 165.1
[M+CH3COO]- 229.17958 189.3
[M+Na-2H]- 191.14040 147.2
[M]+ 170.16518 138.4
[M]- 170.16628 138.4
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