CID 94000

1,1,4,4-tetramethyl-6-ethyl-7-cyanotetralin

Structural Information

Molecular Formula
C17H23N
SMILES
CCC1=CC2=C(C=C1C#N)C(CCC2(C)C)(C)C
InChI
InChI=1S/C17H23N/c1-6-12-9-14-15(10-13(12)11-18)17(4,5)8-7-16(14,2)3/h9-10H,6-8H2,1-5H3
InChIKey
LELXPNKVSBCRLR-UHFFFAOYSA-N
Compound name
3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

241.18304 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 153.2
[M+Na]+ 264.17226 166.4
[M+NH4]+ 259.21686 161.9
[M+K]+ 280.14620 152.1
[M-H]- 240.17576 149.6
[M+Na-2H]- 262.15771 159.1
[M]+ 241.18249 153.8
[M]- 241.18359 153.8
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

patents stripe