CID 17039374

Cyclooctanecarboxylic acid, 2-amino-, hydrochloride (1:1), (1s,2r)-

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
cis-(1S,2R)-2-aminocyclooctane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

171.12593 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 145.7
[M+Na]+ 194.115148 149.4
[M-H]- 170.118654 146.6
[M+NH4]+ 189.159753 154.4
[M+K]+ 210.089088 149.9
[M+H-H2O]+ 154.123190 142.4
[M+HCOO]- 216.124131 154.1
[M+CH3COO]- 230.139781 220.4
[M+Na-2H]- 192.100596 145.1
[M]+ 171.12538142 142.6
[M]- 171.12647858 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