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]+ 160.09682 133.0
[M+Na]+ 182.07876 137.8
[M-H]- 158.08226 135.4
[M+NH4]+ 177.12336 153.1
[M+K]+ 198.05270 138.6
[M+H-H2O]+ 142.08680 128.2
[M+HCOO]- 204.08774 152.3
[M+CH3COO]- 218.10339 174.3
[M+Na-2H]- 180.06421 140.1
[M]+ 159.08899 129.2
[M]- 159.09009 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