CID 12150106

Methyl 2-(morpholin-2-yl)acetate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)CC1CNCCO1
InChI
InChI=1S/C7H13NO3/c1-10-7(9)4-6-5-8-2-3-11-6/h6,8H,2-5H2,1H3
InChIKey
PVCYXJXAUBLSJG-UHFFFAOYSA-N
Compound name
methyl 2-morpholin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

159.08954 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 134.1
[M+Na]+ 182.078758 138.9
[M-H]- 158.082264 134.7
[M+NH4]+ 177.123363 151.2
[M+K]+ 198.052698 139.5
[M+H-H2O]+ 142.086800 127.7
[M+HCOO]- 204.087741 151.1
[M+CH3COO]- 218.103391 171.7
[M+Na-2H]- 180.064206 139.5
[M]+ 159.08899142 131.1
[M]- 159.09008858 131.1
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