CID 12249158

4-(4-ethynylphenyl)morpholine

Structural Information

Molecular Formula
C12H13NO
SMILES
C#CC1=CC=C(C=C1)N2CCOCC2
InChI
InChI=1S/C12H13NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h1,3-6H,7-10H2
InChIKey
GCDSLECRPQHOJR-UHFFFAOYSA-N
Compound name
4-(4-ethynylphenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

187.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 138.4
[M+Na]+ 210.088938 147.1
[M-H]- 186.092444 141.2
[M+NH4]+ 205.133543 153.1
[M+K]+ 226.062878 142.7
[M+H-H2O]+ 170.096980 124.7
[M+HCOO]- 232.097921 151.9
[M+CH3COO]- 246.113571 149.1
[M+Na-2H]- 208.074386 143.8
[M]+ 187.09917142 129.6
[M]- 187.10026858 129.6
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