CID 146049678

Rac-methyl (1r,5r)-5-aminocyclohex-2-ene-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)[C@@H]1C[C@@H](CC=C1)N
InChI
InChI=1S/C8H13NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-3,6-7H,4-5,9H2,1H3/t6-,7+/m0/s1
InChIKey
MLOHJXPNFWIGCX-NKWVEPMBSA-N
Compound name
methyl (1R,5R)-5-aminocyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.7
[M+Na]+ 178.08386 138.6
[M-H]- 154.08736 135.6
[M+NH4]+ 173.12846 153.2
[M+K]+ 194.05780 137.9
[M+H-H2O]+ 138.09190 127.1
[M+HCOO]- 200.09284 154.7
[M+CH3COO]- 214.10849 177.6
[M+Na-2H]- 176.06931 136.7
[M]+ 155.09409 129.4
[M]- 155.09519 129.4
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.