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

7
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 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

patents stripe