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]+ 192.114976 143.5
[M+Na]+ 214.096918 149.2
[M-H]- 190.100424 145.2
[M+NH4]+ 209.141523 161.3
[M+K]+ 230.070858 147.9
[M+H-H2O]+ 174.104960 137.6
[M+HCOO]- 236.105901 156.0
[M+CH3COO]- 250.121551 182.8
[M+Na-2H]- 212.082366 147.1
[M]+ 191.10715142 143.2
[M]- 191.10824858 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