CID 5311429

160415-07-6

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC1(CO[C@H](CN1)CC(=O)O)C
InChI
InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey
SEYCKMQSPUVYEF-LURJTMIESA-N
Compound name
2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

93
References

127
Patents

173.1052 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 138.0
[M+Na]+ 196.094418 143.8
[M-H]- 172.097924 137.8
[M+NH4]+ 191.139023 156.2
[M+K]+ 212.068358 143.6
[M+H-H2O]+ 156.102460 133.0
[M+HCOO]- 218.103401 153.2
[M+CH3COO]- 232.119051 173.7
[M+Na-2H]- 194.079866 143.1
[M]+ 173.10465142 134.4
[M]- 173.10574858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe