CID 54339039

Ethyl 2-amino-2-cycloheptylacetate hydrochloride

Structural Information

Molecular Formula
C11H21NO2
SMILES
CCOC(=O)C(C1CCCCCC1)N
InChI
InChI=1S/C11H21NO2/c1-2-14-11(13)10(12)9-7-5-3-4-6-8-9/h9-10H,2-8,12H2,1H3
InChIKey
GRJOHMIFRFCROR-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-cycloheptylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 144.0
[M+Na]+ 222.14645 149.9
[M+NH4]+ 217.19105 150.6
[M+K]+ 238.12039 147.1
[M-H]- 198.14995 144.8
[M+Na-2H]- 220.13190 147.1
[M]+ 199.15668 144.7
[M]- 199.15778 144.7
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.