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

14
Patents

183.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 147.4
[M+Na]+ 206.11515 151.5
[M-H]- 182.11865 148.9
[M+NH4]+ 201.15975 156.2
[M+K]+ 222.08909 152.2
[M+H-H2O]+ 166.12319 143.9
[M+HCOO]- 228.12413 156.9
[M+CH3COO]- 242.13978 222.3
[M+Na-2H]- 204.10060 147.1
[M]+ 183.12538 145.8
[M]- 183.12648 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