CID 21740253

(benzyloxy)(prop-2-yn-1-yl)amine

Structural Information

Molecular Formula
C10H11NO
SMILES
C#CCNOCC1=CC=CC=C1
InChI
InChI=1S/C10H11NO/c1-2-8-11-12-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
InChIKey
RMPMXTWHZGCBLK-UHFFFAOYSA-N
Compound name
N-phenylmethoxyprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 135.2
[M+Na]+ 184.07328 144.2
[M-H]- 160.07678 137.0
[M+NH4]+ 179.11788 153.3
[M+K]+ 200.04722 140.4
[M+H-H2O]+ 144.08132 123.2
[M+HCOO]- 206.08226 154.8
[M+CH3COO]- 220.09791 187.9
[M+Na-2H]- 182.05873 142.0
[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.