CID 11481862

Abp688

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=NC(=CC=C1)C#CC2=C/C(=N/OC)/CCC2
InChI
InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
InChIKey
CNNZLFXCUQLKOB-BMRADRMJSA-N
Compound name
(E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

74
References

4
Patents

240.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 156.2
[M+Na]+ 263.115488 165.1
[M-H]- 239.118994 159.8
[M+NH4]+ 258.160093 170.7
[M+K]+ 279.089428 159.3
[M+H-H2O]+ 223.123530 141.6
[M+HCOO]- 285.124471 173.0
[M+CH3COO]- 299.140121 202.2
[M+Na-2H]- 261.100936 159.9
[M]+ 240.12572142 149.4
[M]- 240.12681858 149.4
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