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

11
Patents

177.09204 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09932 138.8
[M+Na]+ 200.08126 144.9
[M-H]- 176.08476 140.7
[M+NH4]+ 195.12586 157.1
[M+K]+ 216.05520 143.8
[M+H-H2O]+ 160.08930 133.2
[M+HCOO]- 222.09024 151.6
[M+CH3COO]- 236.10589 179.8
[M+Na-2H]- 198.06671 143.0
[M]+ 177.09149 138.1
[M]- 177.09259 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