CID 56496

92876-63-6

Structural Information

Molecular Formula
C9H23N4O
SMILES
C[N+](C)(C)CCOCCCN=C(N)N
InChI
InChI=1S/C9H23N4O/c1-13(2,3)6-8-14-7-4-5-12-9(10)11/h4-8H2,1-3H3,(H4,10,11,12)/q+1
InChIKey
QUZZLMJTQWFEFL-UHFFFAOYSA-N
Compound name
2-[3-(diaminomethylideneamino)propoxy]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.18718 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.19446 143.8
[M+Na]+ 226.17640 147.6
[M-H]- 202.17990 145.6
[M+NH4]+ 221.22100 162.5
[M+K]+ 242.15034 142.7
[M+H-H2O]+ 186.18444 140.1
[M+HCOO]- 248.18538 169.8
[M+CH3COO]- 262.20103 194.3
[M+Na-2H]- 224.16185 151.3
[M]+ 203.18663 142.4
[M]- 203.18773 142.4
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.