CID 155859058

2580237-52-9

Structural Information

Molecular Formula
C10H17NO3
SMILES
C1CC2(CC(C2)C(=O)O)COC1CN
InChI
InChI=1S/C10H17NO3/c11-5-8-1-2-10(6-14-8)3-7(4-10)9(12)13/h7-8H,1-6,11H2,(H,12,13)
InChIKey
FFQPECGBRCXGIZ-UHFFFAOYSA-N
Compound name
7-(aminomethyl)-6-oxaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 142.6
[M+Na]+ 222.11007 145.6
[M-H]- 198.11357 146.2
[M+NH4]+ 217.15467 154.7
[M+K]+ 238.08401 148.4
[M+H-H2O]+ 182.11811 132.2
[M+HCOO]- 244.11905 158.3
[M+CH3COO]- 258.13470 185.9
[M+Na-2H]- 220.09552 146.4
[M]+ 199.12030 145.8
[M]- 199.12140 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

No patent data available for this compound.