CID 4962385

2-(chloromethyl)-4-(2-methylpropyl)morpholine

Structural Information

Molecular Formula
C9H18ClNO
SMILES
CC(C)CN1CCOC(C1)CCl
InChI
InChI=1S/C9H18ClNO/c1-8(2)6-11-3-4-12-9(5-10)7-11/h8-9H,3-7H2,1-2H3
InChIKey
MRKPERKTMLOJFF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-(2-methylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.1077 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11498 143.5
[M+Na]+ 214.09692 149.2
[M-H]- 190.10042 145.2
[M+NH4]+ 209.14152 161.3
[M+K]+ 230.07086 147.9
[M+H-H2O]+ 174.10496 137.6
[M+HCOO]- 236.10590 156.0
[M+CH3COO]- 250.12155 182.8
[M+Na-2H]- 212.08237 147.1
[M]+ 191.10715 143.2
[M]- 191.10825 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

No literature data available for this compound.

Patent stripe

patents stripe