CID 52389

73747-72-5

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1CCC2(CC1)C(=C(C#N)C#N)C3(C2=O)CCCCC3
InChI
InChI=1S/C17H20N2O/c18-11-13(12-19)14-16(7-3-1-4-8-16)15(20)17(14)9-5-2-6-10-17/h1-10H2
InChIKey
VDVXLSHFEKMQNX-UHFFFAOYSA-N
Compound name
2-(14-oxodispiro[5.1.58.16]tetradecan-7-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 165.9
[M+Na]+ 291.14678 174.1
[M-H]- 267.15028 171.4
[M+NH4]+ 286.19138 175.7
[M+K]+ 307.12072 168.2
[M+H-H2O]+ 251.15482 149.1
[M+HCOO]- 313.15576 172.3
[M+CH3COO]- 327.17141 224.8
[M+Na-2H]- 289.13223 166.3
[M]+ 268.15701 158.1
[M]- 268.15811 158.1
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.