CID 9576787

Triacsin c

Structural Information

Molecular Formula
C11H17N3O
SMILES
CCC/C=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/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+
InChIKey
NKTGCVUIESDXPU-YLEPRARLSA-N
Compound name
N-[(E)-[(2E,4E,7E)-undeca-2,4,7-trienylidene]amino]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

124
References

0
Patents

207.13716 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 151.1
[M+Na]+ 230.12638 158.6
[M+NH4]+ 225.17098 156.8
[M+K]+ 246.10032 151.1
[M-H]- 206.12988 151.4
[M+Na-2H]- 228.11183 154.0
[M]+ 207.13661 151.6
[M]- 207.13771 151.6
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

No patent data available for this compound.