CID 9570314

L.m. 2013

Structural Information

Molecular Formula
C14H32N4O2
SMILES
C[N+](CCO/N=C/CC/C=N/OCC[N+](C)(C)C)(C)C
InChI
InChI=1S/C14H32N4O2/c1-17(2,3)11-13-19-15-9-7-8-10-16-20-14-12-18(4,5)6/h9-10H,7-8,11-14H2,1-6H3/q+2/b15-9+,16-10+
InChIKey
GUKKYFUFKRVGFN-KAVGSWPWSA-N
Compound name
trimethyl-[2-[(E)-[(4E)-4-[2-(trimethylazaniumyl)ethoxyimino]butylidene]amino]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.25253 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25981 163.8
[M+Na]+ 311.24175 167.3
[M-H]- 287.24525 169.0
[M+NH4]+ 306.28635 231.6
[M+K]+ 327.21569 157.9
[M+H-H2O]+ 271.24979 162.2
[M+HCOO]- 333.25073 252.1
[M+CH3COO]- 347.26638 209.8
[M+Na-2H]- 309.22720 176.8
[M]+ 288.25198 169.0
[M]- 288.25308 169.0
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.