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

466
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 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

literature stripe

Patent stripe

patents stripe