CID 47003107

2-(chloromethyl)-4-methylmorpholine

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CN1CCOC(C1)CCl
InChI
InChI=1S/C6H12ClNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3
InChIKey
UTYOOBRKCYPDAK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

149.06075 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06803 129.4
[M+Na]+ 172.04997 136.6
[M-H]- 148.05347 131.6
[M+NH4]+ 167.09457 149.0
[M+K]+ 188.02391 135.7
[M+H-H2O]+ 132.05801 124.1
[M+HCOO]- 194.05895 143.9
[M+CH3COO]- 208.07460 172.9
[M+Na-2H]- 170.03542 135.9
[M]+ 149.06020 128.6
[M]- 149.06130 128.6
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