CID 12832480

2-(chloromethyl)-4-(propan-2-yl)morpholine

Structural Information

Molecular Formula
C8H16ClNO
SMILES
CC(C)N1CCOC(C1)CCl
InChI
InChI=1S/C8H16ClNO/c1-7(2)10-3-4-11-8(5-9)6-10/h7-8H,3-6H2,1-2H3
InChIKey
PBMGKUKINJVKRC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

177.09204 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.099316 138.8
[M+Na]+ 200.081258 144.9
[M-H]- 176.084764 140.7
[M+NH4]+ 195.125863 157.1
[M+K]+ 216.055198 143.8
[M+H-H2O]+ 160.089300 133.2
[M+HCOO]- 222.090241 151.6
[M+CH3COO]- 236.105891 179.8
[M+Na-2H]- 198.066706 143.0
[M]+ 177.09149142 138.1
[M]- 177.09258858 138.1
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