CID 21428358

Ethyl 2-aminocyclooct-1-ene-1-carboxylate

Structural Information

Molecular Formula
C11H19NO2
SMILES
CCOC(=O)/C/1=C(/CCCCCC1)\N
InChI
InChI=1S/C11H19NO2/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h2-8,12H2,1H3/b10-9-
InChIKey
XGYIXAJQXKVEPM-KTKRTIGZSA-N
Compound name
ethyl (1Z)-2-aminocyclooctene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 149.6
[M+Na]+ 220.130808 153.6
[M-H]- 196.134314 151.1
[M+NH4]+ 215.175413 158.2
[M+K]+ 236.104748 154.1
[M+H-H2O]+ 180.138850 146.1
[M+HCOO]- 242.139791 159.0
[M+CH3COO]- 256.155441 223.6
[M+Na-2H]- 218.116256 149.1
[M]+ 197.14104142 148.2
[M]- 197.14213858 148.2
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.