CID 95194

1-aminocyclooctanecarboxylic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCCC(CCC1)(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c10-9(8(11)12)6-4-2-1-3-5-7-9/h1-7,10H2,(H,11,12)
InChIKey
PJSQECUPWDUIBT-UHFFFAOYSA-N
Compound name
1-aminocyclooctane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1295
Patents

171.12593 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 149.2
[M+Na]+ 194.11515 151.7
[M+NH4]+ 189.15975 152.1
[M+K]+ 210.08909 150.8
[M-H]- 170.11865 149.5
[M+Na-2H]- 192.10060 151.7
[M]+ 171.12538 149.5
[M]- 171.12648 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe