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 136.7
[M+Na]+ 224.08933 140.7
[M-H]- 200.09283 138.4
[M+NH4]+ 219.13393 152.5
[M+K]+ 240.06327 144.8
[M+H-H2O]+ 184.09737 130.7
[M+HCOO]- 246.09831 153.8
[M+CH3COO]- 260.11396 183.9
[M+Na-2H]- 222.07478 139.1
[M]+ 201.09956 132.4
[M]- 201.10066 132.4
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.