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

27
Patents

149.06075 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.068026 129.4
[M+Na]+ 172.049968 136.6
[M-H]- 148.053474 131.6
[M+NH4]+ 167.094573 149.0
[M+K]+ 188.023908 135.7
[M+H-H2O]+ 132.058010 124.1
[M+HCOO]- 194.058951 143.9
[M+CH3COO]- 208.074601 172.9
[M+Na-2H]- 170.035416 135.9
[M]+ 149.06020142 128.6
[M]- 149.06129858 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