CID 9576837

Triacsin d

Structural Information

Molecular Formula
C11H17N3O
SMILES
CCCC/C=C/C=C/C=C/C=N/NN=O
InChI
InChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-11H,2-4H2,1H3,(H,13,15)/b6-5+,8-7+,10-9+,12-11+
InChIKey
LHUQTZGIUIKTLZ-AQPMYLLTSA-N
Compound name
N-[(E)-[(2E,4E,6E)-undeca-2,4,6-trienylidene]amino]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

12
Patents

207.13716 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 148.0
[M+Na]+ 230.12638 153.1
[M-H]- 206.12988 150.3
[M+NH4]+ 225.17098 167.4
[M+K]+ 246.10032 150.8
[M+H-H2O]+ 190.13442 141.0
[M+HCOO]- 252.13536 177.5
[M+CH3COO]- 266.15101 197.2
[M+Na-2H]- 228.11183 154.3
[M]+ 207.13661 150.2
[M]- 207.13771 150.2
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.