CID 129318667

2734417-01-5

Structural Information

Molecular Formula
C21H25NO
SMILES
CC(C)(C)C#C/C=C/C[N+](C)(CC1=CC=CC2=CC=CC=C21)[O-]
InChI
InChI=1S/C21H25NO/c1-21(2,3)15-8-5-9-16-22(4,23)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
InChIKey
JKWYHCFRDQLODW-WEVVVXLNSA-N
Compound name
(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 177.7
[M+Na]+ 330.18282 191.0
[M+NH4]+ 325.22742 182.7
[M+K]+ 346.15676 181.1
[M-H]- 306.18632 173.5
[M+Na-2H]- 328.16827 180.8
[M]+ 307.19305 177.9
[M]- 307.19415 177.9
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.