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

4
Patents

199.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 142.7
[M+Na]+ 222.146448 143.3
[M-H]- 198.149954 145.5
[M+NH4]+ 217.191053 159.5
[M+K]+ 238.120388 147.4
[M+H-H2O]+ 182.154490 136.9
[M+HCOO]- 244.155431 160.6
[M+CH3COO]- 258.171081 188.3
[M+Na-2H]- 220.131896 143.6
[M]+ 199.15668142 135.1
[M]- 199.15777858 135.1
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

patents stripe