CID 173313

Pargyline n-oxide

Structural Information

Molecular Formula
C11H13NO
SMILES
C[N+](CC#C)(CC1=CC=CC=C1)[O-]
InChI
InChI=1S/C11H13NO/c1-3-9-12(2,13)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKey
NZCJCBZLNHDNCR-UHFFFAOYSA-N
Compound name
N-benzyl-N-methylprop-2-yn-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 144.7
[M+Na]+ 198.088938 153.5
[M-H]- 174.092444 146.7
[M+NH4]+ 193.133543 162.3
[M+K]+ 214.062878 145.6
[M+H-H2O]+ 158.096980 137.6
[M+HCOO]- 220.097921 162.9
[M+CH3COO]- 234.113571 184.7
[M+Na-2H]- 196.074386 152.5
[M]+ 175.09917142 137.6
[M]- 175.10026858 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.