CID 45090200

142035-03-8

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)[C@@H]1CCC=C[C@@H]1N
InChI
InChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h3,5-7H,2,4,9H2,1H3/t6-,7+/m1/s1
InChIKey
NWJRNTPMBLAABP-RQJHMYQMSA-N
Compound name
methyl (1R,2S)-2-aminocyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.7
[M+Na]+ 178.083858 138.6
[M-H]- 154.087364 135.6
[M+NH4]+ 173.128463 153.2
[M+K]+ 194.057798 137.9
[M+H-H2O]+ 138.091900 127.1
[M+HCOO]- 200.092841 154.7
[M+CH3COO]- 214.108491 177.6
[M+Na-2H]- 176.069306 136.7
[M]+ 155.09409142 129.4
[M]- 155.09518858 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.