CID 65085599

1-amino-4-ethylcycloheptane-1-carboxylic acid

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCC1CCCC(CC1)(C(=O)O)N
InChI
InChI=1S/C10H19NO2/c1-2-8-4-3-6-10(11,7-5-8)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)
InChIKey
WQBRLPRBNVHUGR-UHFFFAOYSA-N
Compound name
1-amino-4-ethylcycloheptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 137.6
[M+Na]+ 208.13081 143.9
[M+NH4]+ 203.17541 145.5
[M+K]+ 224.10475 139.8
[M-H]- 184.13431 138.2
[M+Na-2H]- 206.11626 142.2
[M]+ 185.14104 138.5
[M]- 185.14214 138.5
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.