CID 126970937

2-(3-methoxy-2-oxoazepan-1-yl)acetic acid

Structural Information

Molecular Formula
C9H15NO4
SMILES
COC1CCCCN(C1=O)CC(=O)O
InChI
InChI=1S/C9H15NO4/c1-14-7-4-2-3-5-10(9(7)13)6-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKey
ISYSCSBKYZLJOI-UHFFFAOYSA-N
Compound name
2-(3-methoxy-2-oxoazepan-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 139.9
[M+Na]+ 224.08933 147.0
[M+NH4]+ 219.13393 145.0
[M+K]+ 240.06327 145.2
[M-H]- 200.09283 138.5
[M+Na-2H]- 222.07478 142.2
[M]+ 201.09956 140.1
[M]- 201.10066 140.1
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

No patent data available for this compound.