CID 137944351

2490430-21-0

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1C2(CC1(C3(O2)COC3)N)CO
InChI
InChI=1S/C8H13NO3/c9-7-1-6(2-7,3-10)12-8(7)4-11-5-8/h10H,1-5,9H2
InChIKey
ZPQZPPOPZXIANV-UHFFFAOYSA-N
Compound name
(4-aminospiro[2-oxabicyclo[2.1.1]hexane-3,3'-oxetane]-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 138.5
[M+Na]+ 194.07876 142.8
[M-H]- 170.08226 142.7
[M+NH4]+ 189.12336 153.5
[M+K]+ 210.05270 147.5
[M+H-H2O]+ 154.08680 130.5
[M+HCOO]- 216.08774 152.0
[M+CH3COO]- 230.10339 190.7
[M+Na-2H]- 192.06421 147.9
[M]+ 171.08899 157.8
[M]- 171.09009 157.8
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.