CID 137944049

8-aminodispiro[3.1.3^{6}.1^{4}]decane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H17NO2
SMILES
C1C(CC12CC3(C2)CC(C3)N)C(=O)O
InChI
InChI=1S/C11H17NO2/c12-8-3-11(4-8)5-10(6-11)1-7(2-10)9(13)14/h7-8H,1-6,12H2,(H,13,14)
InChIKey
LIIVCYXGBDDQFM-UHFFFAOYSA-N
Compound name
8-aminodispiro[3.1.36.14]decane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 140.8
[M+Na]+ 218.11515 142.5
[M-H]- 194.11865 145.8
[M+NH4]+ 213.15975 143.2
[M+K]+ 234.08909 147.9
[M+H-H2O]+ 178.12319 125.9
[M+HCOO]- 240.12413 153.2
[M+CH3COO]- 254.13978 209.0
[M+Na-2H]- 216.10060 143.1
[M]+ 195.12538 158.0
[M]- 195.12648 158.0
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

No patent data available for this compound.