CID 65911115

Ethyl 3-amino-3-cycloheptylpropanoate

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCOC(=O)CC(C1CCCCCC1)N
InChI
InChI=1S/C12H23NO2/c1-2-15-12(14)9-11(13)10-7-5-3-4-6-8-10/h10-11H,2-9,13H2,1H3
InChIKey
WBJKCQALBSMNTD-UHFFFAOYSA-N
Compound name
ethyl 3-amino-3-cycloheptylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 147.1
[M+Na]+ 236.16210 147.3
[M-H]- 212.16560 149.7
[M+NH4]+ 231.20670 163.4
[M+K]+ 252.13604 151.1
[M+H-H2O]+ 196.17014 141.2
[M+HCOO]- 258.17108 164.7
[M+CH3COO]- 272.18673 191.2
[M+Na-2H]- 234.14755 147.5
[M]+ 213.17233 139.9
[M]- 213.17343 139.9
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.