CID 138991481

Methyl 5-aminocyclooctane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
COC(=O)C1CCCC(CCC1)N
InChI
InChI=1S/C10H19NO2/c1-13-10(12)8-4-2-6-9(11)7-3-5-8/h8-9H,2-7,11H2,1H3
InChIKey
AXQCVYJLTDUHHI-UHFFFAOYSA-N
Compound name
methyl 5-aminocyclooctane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 148.7
[M+Na]+ 208.13081 152.4
[M-H]- 184.13431 150.1
[M+NH4]+ 203.17541 157.4
[M+K]+ 224.10475 153.1
[M+H-H2O]+ 168.13885 145.2
[M+HCOO]- 230.13979 157.5
[M+CH3COO]- 244.15544 222.5
[M+Na-2H]- 206.11626 147.9
[M]+ 185.14104 146.4
[M]- 185.14214 146.4
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.