CID 952393

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

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
C1COCCN1C2=C(C=CC=C2Cl)N
InChI
InChI=1S/C10H13ClN2O/c11-8-2-1-3-9(12)10(8)13-4-6-14-7-5-13/h1-3H,4-7,12H2
InChIKey
LEQGHOHIHNAMCC-UHFFFAOYSA-N
Compound name
3-chloro-2-morpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

212.07164 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.078916 146.2
[M+Na]+ 235.060858 153.3
[M-H]- 211.064364 151.1
[M+NH4]+ 230.105463 162.5
[M+K]+ 251.034798 150.1
[M+H-H2O]+ 195.068900 139.1
[M+HCOO]- 257.069841 161.3
[M+CH3COO]- 271.085491 158.1
[M+Na-2H]- 233.046306 151.4
[M]+ 212.07109142 143.2
[M]- 212.07218858 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