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]+ 162.09134 134.9
[M+Na]+ 184.07328 144.6
[M-H]- 160.07678 137.1
[M+NH4]+ 179.11788 153.2
[M+K]+ 200.04722 141.0
[M+H-H2O]+ 144.08132 123.1
[M+HCOO]- 206.08226 154.5
[M+CH3COO]- 220.09791 188.8
[M+Na-2H]- 182.05873 141.0
[M]+ 161.08351 130.1
[M]- 161.08461 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.