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]+ 172.07570 134.1
[M+Na]+ 194.05764 150.7
[M-H]- 170.06114 140.1
[M+NH4]+ 189.10224 148.4
[M+K]+ 210.03158 143.2
[M+H-H2O]+ 154.06568 123.4
[M+HCOO]- 216.06662 154.8
[M+CH3COO]- 230.08227 191.0
[M+Na-2H]- 192.04309 142.4
[M]+ 171.06787 134.6
[M]- 171.06897 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.