CID 50989046

N-methyl-4-(prop-2-yn-1-yloxy)aniline

Structural Information

Molecular Formula
C10H11NO
SMILES
CNC1=CC=C(C=C1)OCC#C
InChI
InChI=1S/C10H11NO/c1-3-8-12-10-6-4-9(11-2)5-7-10/h1,4-7,11H,8H2,2H3
InChIKey
OCDDSDVCUYZTCB-UHFFFAOYSA-N
Compound name
N-methyl-4-prop-2-ynoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 134.9
[M+Na]+ 184.073278 144.6
[M-H]- 160.076784 137.1
[M+NH4]+ 179.117883 153.2
[M+K]+ 200.047218 141.0
[M+H-H2O]+ 144.081320 123.1
[M+HCOO]- 206.082261 154.5
[M+CH3COO]- 220.097911 188.8
[M+Na-2H]- 182.058726 141.0
[M]+ 161.08351142 130.1
[M]- 161.08460858 130.1
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.