CID 57764603

4-[(4-ethynylphenyl)methyl]morpholine hydrochloride

Structural Information

Molecular Formula
C13H15NO
SMILES
C#CC1=CC=C(C=C1)CN2CCOCC2
InChI
InChI=1S/C13H15NO/c1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14/h1,3-6H,7-11H2
InChIKey
OZKXSTLYLNSXRE-UHFFFAOYSA-N
Compound name
4-[(4-ethynylphenyl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

201.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 142.4
[M+Na]+ 224.10459 150.6
[M-H]- 200.10809 145.0
[M+NH4]+ 219.14919 156.5
[M+K]+ 240.07853 146.1
[M+H-H2O]+ 184.11263 128.5
[M+HCOO]- 246.11357 155.5
[M+CH3COO]- 260.12922 152.7
[M+Na-2H]- 222.09004 147.3
[M]+ 201.11482 133.9
[M]- 201.11592 133.9
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

patents stripe