CID 17039374

Rac-(1r,2s)-2-aminocyclooctane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCC[C@H]([C@H](CC1)C(=O)O)N
InChI
InChI=1S/C9H17NO2/c10-8-6-4-2-1-3-5-7(8)9(11)12/h7-8H,1-6,10H2,(H,11,12)/t7-,8+/m0/s1
InChIKey
RNDBJXMOBPVFAS-JGVFFNPUSA-N
Compound name
(1S,2R)-2-aminocyclooctane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

171.12593 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 145.7
[M+Na]+ 194.11515 149.4
[M-H]- 170.11865 146.6
[M+NH4]+ 189.15975 154.4
[M+K]+ 210.08909 149.9
[M+H-H2O]+ 154.12319 142.4
[M+HCOO]- 216.12413 154.1
[M+CH3COO]- 230.13978 220.4
[M+Na-2H]- 192.10060 145.1
[M]+ 171.12538 142.6
[M]- 171.12648 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