CID 137838608

2839157-49-0

Structural Information

Molecular Formula
C10H17NO3
SMILES
COC(=O)C1CC2(C1)CC(CCO2)N
InChI
InChI=1S/C10H17NO3/c1-13-9(12)7-4-10(5-7)6-8(11)2-3-14-10/h7-8H,2-6,11H2,1H3
InChIKey
URJWALWMQJPKGE-UHFFFAOYSA-N
Compound name
methyl 8-amino-5-oxaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 141.2
[M+Na]+ 222.11007 144.7
[M-H]- 198.11357 146.3
[M+NH4]+ 217.15467 154.2
[M+K]+ 238.08401 148.5
[M+H-H2O]+ 182.11811 130.7
[M+HCOO]- 244.11905 158.5
[M+CH3COO]- 258.13470 187.6
[M+Na-2H]- 220.09552 145.6
[M]+ 199.12030 146.2
[M]- 199.12140 146.2
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.