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]+ 200.128126 141.2
[M+Na]+ 222.110068 144.7
[M-H]- 198.113574 146.3
[M+NH4]+ 217.154673 154.2
[M+K]+ 238.084008 148.5
[M+H-H2O]+ 182.118110 130.7
[M+HCOO]- 244.119051 158.5
[M+CH3COO]- 258.134701 187.6
[M+Na-2H]- 220.095516 145.6
[M]+ 199.12030142 146.2
[M]- 199.12139858 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.