CID 21428346

Ethyl 2-amino-5-methylcyclohex-1-ene-1-carboxylate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CCOC(=O)C1=C(CCC(C1)C)N
InChI
InChI=1S/C10H17NO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h7H,3-6,11H2,1-2H3
InChIKey
IVUMJBCEHJOSOZ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-methylcyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 141.4
[M+Na]+ 206.11515 147.4
[M-H]- 182.11865 144.4
[M+NH4]+ 201.15975 161.1
[M+K]+ 222.08909 146.3
[M+H-H2O]+ 166.12319 135.7
[M+HCOO]- 228.12413 162.8
[M+CH3COO]- 242.13978 184.9
[M+Na-2H]- 204.10060 143.7
[M]+ 183.12538 139.3
[M]- 183.12648 139.3
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

patents stripe