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
3
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]+ 176.10700 144.7
[M+Na]+ 198.08894 153.5
[M-H]- 174.09244 146.7
[M+NH4]+ 193.13354 162.3
[M+K]+ 214.06288 145.6
[M+H-H2O]+ 158.09698 137.6
[M+HCOO]- 220.09792 162.9
[M+CH3COO]- 234.11357 184.7
[M+Na-2H]- 196.07439 152.5
[M]+ 175.09917 137.6
[M]- 175.10027 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.