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]+ 198.14887 149.6
[M+Na]+ 220.13081 153.6
[M-H]- 196.13431 151.1
[M+NH4]+ 215.17541 158.2
[M+K]+ 236.10475 154.1
[M+H-H2O]+ 180.13885 146.1
[M+HCOO]- 242.13979 159.0
[M+CH3COO]- 256.15544 223.6
[M+Na-2H]- 218.11626 149.1
[M]+ 197.14104 148.2
[M]- 197.14214 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.