CID 6113250

Tert-butyl 2-cyano-2-(1,2-dihydro-2-quinolylidene)acetate

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CC(C)(C)OC(=O)/C(=C\1/C=CC2=CC=CC=C2N1)/C#N
InChI
InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)12(10-17)14-9-8-11-6-4-5-7-13(11)18-14/h4-9,18H,1-3H3/b14-12-
InChIKey
ZVVGVUDETQKEBQ-OWBHPGMISA-N
Compound name
tert-butyl (2Z)-2-cyano-2-(1H-quinolin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 169.5
[M+Na]+ 291.11042 177.5
[M-H]- 267.11392 170.0
[M+NH4]+ 286.15502 183.0
[M+K]+ 307.08436 171.8
[M+H-H2O]+ 251.11846 156.2
[M+HCOO]- 313.11940 181.5
[M+CH3COO]- 327.13505 205.8
[M+Na-2H]- 289.09587 172.4
[M]+ 268.12065 162.4
[M]- 268.12175 162.4
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.