CID 39242967

2-(2-chlorophenyl)-5-methylmorpholine hydrochloride

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C[C@@H]1CO[C@H](CN1)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKey
MCDIIVJZXXFTDP-LDYMZIIASA-N
Compound name
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 145.7
[M+Na]+ 234.06561 152.9
[M-H]- 210.06911 149.7
[M+NH4]+ 229.11021 162.0
[M+K]+ 250.03955 149.0
[M+H-H2O]+ 194.07365 139.1
[M+HCOO]- 256.07459 158.6
[M+CH3COO]- 270.09024 157.5
[M+Na-2H]- 232.05106 150.8
[M]+ 211.07584 142.9
[M]- 211.07694 142.9
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

No patent data available for this compound.