CID 165640300

3-[4-(prop-2-yn-1-yloxy)phenyl]-2h-azirine

Structural Information

Molecular Formula
C11H9NO
SMILES
C#CCOC1=CC=C(C=C1)C2=NC2
InChI
InChI=1S/C11H9NO/c1-2-7-13-10-5-3-9(4-6-10)11-8-12-11/h1,3-6H,7-8H2
InChIKey
QDMVCUAYFOASAL-UHFFFAOYSA-N
Compound name
3-(4-prop-2-ynoxyphenyl)-2H-azirine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 134.1
[M+Na]+ 194.057638 150.7
[M-H]- 170.061144 140.1
[M+NH4]+ 189.102243 148.4
[M+K]+ 210.031578 143.2
[M+H-H2O]+ 154.065680 123.4
[M+HCOO]- 216.066621 154.8
[M+CH3COO]- 230.082271 191.0
[M+Na-2H]- 192.043086 142.4
[M]+ 171.06787142 134.6
[M]- 171.06896858 134.6
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.