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]+ 196.133206 140.8
[M+Na]+ 218.115148 142.5
[M-H]- 194.118654 145.8
[M+NH4]+ 213.159753 143.2
[M+K]+ 234.089088 147.9
[M+H-H2O]+ 178.123190 125.9
[M+HCOO]- 240.124131 153.2
[M+CH3COO]- 254.139781 209.0
[M+Na-2H]- 216.100596 143.1
[M]+ 195.12538142 158.0
[M]- 195.12647858 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.