CID 63042193

2173996-72-8

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1COCCC12CC2(CN)CO
InChI
InChI=1S/C9H17NO2/c10-6-9(7-11)5-8(9)1-3-12-4-2-8/h11H,1-7,10H2
InChIKey
NOLACALASLWZMH-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)-6-oxaspiro[2.5]octan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 137.5
[M+Na]+ 194.11515 144.9
[M-H]- 170.11865 142.8
[M+NH4]+ 189.15975 154.6
[M+K]+ 210.08909 145.0
[M+H-H2O]+ 154.12319 133.2
[M+HCOO]- 216.12413 155.6
[M+CH3COO]- 230.13978 179.7
[M+Na-2H]- 192.10060 145.7
[M]+ 171.12538 136.3
[M]- 171.12648 136.3
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.