CID 21465515

2,2-dimethyl-3-(morpholin-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(CN1CCOCC1)C(=O)O
InChI
InChI=1S/C9H17NO3/c1-9(2,8(11)12)7-10-3-5-13-6-4-10/h3-7H2,1-2H3,(H,11,12)
InChIKey
GQXYOUIPSRYOPE-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-morpholin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

187.12085 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.3
[M+Na]+ 210.11007 146.6
[M-H]- 186.11357 142.8
[M+NH4]+ 205.15467 158.3
[M+K]+ 226.08401 147.1
[M+H-H2O]+ 170.11811 136.3
[M+HCOO]- 232.11905 157.1
[M+CH3COO]- 246.13470 178.8
[M+Na-2H]- 208.09552 147.6
[M]+ 187.12030 139.7
[M]- 187.12140 139.7
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