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]+ 184.133206 141.4
[M+Na]+ 206.115148 147.4
[M-H]- 182.118654 144.4
[M+NH4]+ 201.159753 161.1
[M+K]+ 222.089088 146.3
[M+H-H2O]+ 166.123190 135.7
[M+HCOO]- 228.124131 162.8
[M+CH3COO]- 242.139781 184.9
[M+Na-2H]- 204.100596 143.7
[M]+ 183.12538142 139.3
[M]- 183.12647858 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