CID 18070370

2-(2-oxoazocan-1-yl)acetic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CCCN(C(=O)CC1)CC(=O)O
InChI
InChI=1S/C9H15NO3/c11-8-5-3-1-2-4-6-10(8)7-9(12)13/h1-7H2,(H,12,13)
InChIKey
LCYQGLJBTMBDSC-UHFFFAOYSA-N
Compound name
2-(2-oxoazocan-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 142.4
[M+Na]+ 208.09442 145.3
[M+NH4]+ 203.13902 144.6
[M+K]+ 224.06836 145.4
[M-H]- 184.09792 142.3
[M+Na-2H]- 206.07987 144.9
[M]+ 185.10465 142.6
[M]- 185.10575 142.6
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