CID 137935714

2253629-55-7

Structural Information

Molecular Formula
C10H17NO3
SMILES
C1COCCC12C3(CC(C3)(O2)CO)N
InChI
InChI=1S/C10H17NO3/c11-9-5-8(6-9,7-12)14-10(9)1-3-13-4-2-10/h12H,1-7,11H2
InChIKey
MWOLQRWYDUJRBE-UHFFFAOYSA-N
Compound name
(4-aminospiro[2-oxabicyclo[2.1.1]hexane-3,4'-oxane]-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 142.6
[M+Na]+ 222.11007 147.4
[M-H]- 198.11357 145.7
[M+NH4]+ 217.15467 164.1
[M+K]+ 238.08401 149.5
[M+H-H2O]+ 182.11811 136.5
[M+HCOO]- 244.11905 155.6
[M+CH3COO]- 258.13470 154.2
[M+Na-2H]- 220.09552 152.2
[M]+ 199.12030 152.1
[M]- 199.12140 152.1
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.