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

176
Patents

201.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 142.4
[M+Na]+ 224.104588 150.6
[M-H]- 200.108094 145.0
[M+NH4]+ 219.149193 156.5
[M+K]+ 240.078528 146.1
[M+H-H2O]+ 184.112630 128.5
[M+HCOO]- 246.113571 155.5
[M+CH3COO]- 260.129221 152.7
[M+Na-2H]- 222.090036 147.3
[M]+ 201.11482142 133.9
[M]- 201.11591858 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