CID 58281036

943026-55-9

Structural Information

Molecular Formula
C10H11NO
SMILES
C#CCOC1=CC=C(C=C1)CN
InChI
InChI=1S/C10H11NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6H,7-8,11H2
InChIKey
VUVHYJKFIRKPJR-UHFFFAOYSA-N
Compound name
(4-prop-2-ynoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 135.8
[M+Na]+ 184.07328 145.6
[M-H]- 160.07678 137.6
[M+NH4]+ 179.11788 153.9
[M+K]+ 200.04722 141.7
[M+H-H2O]+ 144.08132 124.1
[M+HCOO]- 206.08226 154.8
[M+CH3COO]- 220.09791 188.2
[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

literature stripe

Patent stripe

patents stripe