CID 43753568

1157932-08-5

Structural Information

Molecular Formula
C7H13NO3
SMILES
CNC1(CCOCC1)C(=O)O
InChI
InChI=1S/C7H13NO3/c1-8-7(6(9)10)2-4-11-5-3-7/h8H,2-5H2,1H3,(H,9,10)
InChIKey
XQSFETBRMIRLGH-UHFFFAOYSA-N
Compound name
4-(methylamino)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

159.08954 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 133.0
[M+Na]+ 182.078758 137.8
[M-H]- 158.082264 135.4
[M+NH4]+ 177.123363 153.1
[M+K]+ 198.052698 138.6
[M+H-H2O]+ 142.086800 128.2
[M+HCOO]- 204.087741 152.3
[M+CH3COO]- 218.103391 174.3
[M+Na-2H]- 180.064206 140.1
[M]+ 159.08899142 129.2
[M]- 159.09008858 129.2
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