CID 102254333

Rac-methyl (1r,8s)-8-aminocyclooct-4-ene-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)[C@@H]1CC/C=C\CC[C@@H]1N
InChI
InChI=1S/C10H17NO2/c1-13-10(12)8-6-4-2-3-5-7-9(8)11/h2-3,8-9H,4-7,11H2,1H3/b3-2-/t8-,9+/m1/s1
InChIKey
XJDIJSXVYYEKKN-HVSMVGKISA-N
Compound name
methyl (1R,4Z,8S)-8-aminocyclooct-4-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

183.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 147.4
[M+Na]+ 206.115148 151.5
[M-H]- 182.118654 148.9
[M+NH4]+ 201.159753 156.2
[M+K]+ 222.089088 152.2
[M+H-H2O]+ 166.123190 143.9
[M+HCOO]- 228.124131 156.9
[M+CH3COO]- 242.139781 222.3
[M+Na-2H]- 204.100596 147.1
[M]+ 183.12538142 145.8
[M]- 183.12647858 145.8
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