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 147.1
[M+Na]+ 208.09442 151.2
[M-H]- 184.09792 147.6
[M+NH4]+ 203.13902 155.1
[M+K]+ 224.06836 151.8
[M+H-H2O]+ 168.10246 143.5
[M+HCOO]- 230.10340 154.9
[M+CH3COO]- 244.11905 220.2
[M+Na-2H]- 206.07987 146.7
[M]+ 185.10465 145.3
[M]- 185.10575 145.3
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