CID 846189

5-chloro-2-(morpholin-4-yl)aniline

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
C1COCCN1C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C10H13ClN2O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKey
UNDBLGNMBLCRNJ-UHFFFAOYSA-N
Compound name
5-chloro-2-morpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

30
Patents

212.07164 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07892 146.2
[M+Na]+ 235.06086 153.3
[M-H]- 211.06436 151.1
[M+NH4]+ 230.10546 162.5
[M+K]+ 251.03480 150.1
[M+H-H2O]+ 195.06890 139.1
[M+HCOO]- 257.06984 161.3
[M+CH3COO]- 271.08549 158.1
[M+Na-2H]- 233.04631 151.4
[M]+ 212.07109 143.2
[M]- 212.07219 143.2
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