CID 135926961

Nsc 168388

Structural Information

Molecular Formula
C15H27N3O
SMILES
CC[N+](CC)(CC)CCC[N+]1=CC=C(C=C1)/C=N/O
InChI
InChI=1S/C15H26N3O/c1-4-18(5-2,6-3)13-7-10-17-11-8-15(9-12-17)14-16-19/h8-9,11-12,14H,4-7,10,13H2,1-3H3/q+1/p+1
InChIKey
QUOGHPPVIHDBIH-UHFFFAOYSA-O
Compound name
triethyl-[3-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.21542 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.22270 163.7
[M+Na]+ 288.20464 168.7
[M-H]- 264.20814 167.1
[M+NH4]+ 283.24924 178.9
[M+K]+ 304.17858 155.3
[M+H-H2O]+ 248.21268 161.4
[M+HCOO]- 310.21362 186.3
[M+CH3COO]- 324.22927 193.6
[M+Na-2H]- 286.19009 174.8
[M]+ 265.21487 164.2
[M]- 265.21597 164.2
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.