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]+ 186.148866 138.5
[M+Na]+ 208.130808 141.0
[M-H]- 184.134314 140.7
[M+NH4]+ 203.175413 157.4
[M+K]+ 224.104748 143.9
[M+H-H2O]+ 168.138850 133.9
[M+HCOO]- 230.139791 156.1
[M+CH3COO]- 244.155441 183.6
[M+Na-2H]- 206.116256 141.1
[M]+ 185.14104142 130.1
[M]- 185.14213858 130.1
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.