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 142.7
[M+Na]+ 222.14645 143.3
[M-H]- 198.14995 145.5
[M+NH4]+ 217.19105 159.5
[M+K]+ 238.12039 147.4
[M+H-H2O]+ 182.15449 136.9
[M+HCOO]- 244.15543 160.6
[M+CH3COO]- 258.17108 188.3
[M+Na-2H]- 220.13190 143.6
[M]+ 199.15668 135.1
[M]- 199.15778 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

No patent data available for this compound.