CID 29132

1-(2-propynyloxy)naphthalene

Structural Information

Molecular Formula
C13H10O
SMILES
C#CCOC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H10O/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h1,3-9H,10H2
InChIKey
SQUJYDFTMPTTLT-UHFFFAOYSA-N
Compound name
1-prop-2-ynoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

182.07317 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08045 141.2
[M+Na]+ 205.06239 155.9
[M+NH4]+ 200.10699 147.6
[M+K]+ 221.03633 144.3
[M-H]- 181.06589 136.8
[M+Na-2H]- 203.04784 146.5
[M]+ 182.07262 141.4
[M]- 182.07372 141.4
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