CID 6447683

4-morpholineethanol, alpha-(p-chlorostyryl)-, hydrochloride

Structural Information

Molecular Formula
C14H18ClNO2
SMILES
C1COCCN1CC(/C=C/C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H18ClNO2/c15-13-4-1-12(2-5-13)3-6-14(17)11-16-7-9-18-10-8-16/h1-6,14,17H,7-11H2/b6-3+
InChIKey
RVTNZWJBIODYGP-ZZXKWVIFSA-N
Compound name
(E)-4-(4-chlorophenyl)-1-morpholin-4-ylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1026 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10988 161.5
[M+Na]+ 290.09182 166.4
[M-H]- 266.09532 164.7
[M+NH4]+ 285.13642 175.0
[M+K]+ 306.06576 162.2
[M+H-H2O]+ 250.09986 154.0
[M+HCOO]- 312.10080 172.8
[M+CH3COO]- 326.11645 191.4
[M+Na-2H]- 288.07727 164.5
[M]+ 267.10205 159.5
[M]- 267.10315 159.5
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.