CID 42614433

Ethyl 2-amino-2-ethyloctanoate

Structural Information

Molecular Formula
C12H25NO2
SMILES
CCCCCCC(CC)(C(=O)OCC)N
InChI
InChI=1S/C12H25NO2/c1-4-7-8-9-10-12(13,5-2)11(14)15-6-3/h4-10,13H2,1-3H3
InChIKey
BWFGKSUCLYNHHE-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-ethyloctanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.18852 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.19580 156.0
[M+Na]+ 238.17774 160.4
[M-H]- 214.18124 155.0
[M+NH4]+ 233.22234 174.4
[M+K]+ 254.15168 159.4
[M+H-H2O]+ 198.18578 150.6
[M+HCOO]- 260.18672 176.4
[M+CH3COO]- 274.20237 193.0
[M+Na-2H]- 236.16319 158.5
[M]+ 215.18797 158.7
[M]- 215.18907 158.7
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.