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]+ 186.112476 147.1
[M+Na]+ 208.094418 151.2
[M-H]- 184.097924 147.6
[M+NH4]+ 203.139023 155.1
[M+K]+ 224.068358 151.8
[M+H-H2O]+ 168.102460 143.5
[M+HCOO]- 230.103401 154.9
[M+CH3COO]- 244.119051 220.2
[M+Na-2H]- 206.079866 146.7
[M]+ 185.10465142 145.3
[M]- 185.10574858 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