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]+ 308.200876 188.5
[M+Na]+ 330.182818 196.3
[M-H]- 306.186324 190.3
[M+NH4]+ 325.227423 202.3
[M+K]+ 346.156758 184.3
[M+H-H2O]+ 290.190860 180.2
[M+HCOO]- 352.191801 202.0
[M+CH3COO]- 366.207451 208.0
[M+Na-2H]- 328.168266 194.0
[M]+ 307.19305142 182.0
[M]- 307.19414858 182.0
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.