CID 132343772

[1-(aminomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1C2(CC1(OC2)CN)CO
InChI
InChI=1S/C7H13NO2/c8-3-7-1-6(2-7,4-9)5-10-7/h9H,1-5,8H2
InChIKey
XBPXFUVDQVZQLG-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 125.4
[M+Na]+ 166.08386 127.5
[M+NH4]+ 161.12846 133.5
[M+K]+ 182.05780 125.4
[M-H]- 142.08736 121.6
[M+Na-2H]- 164.06931 123.6
[M]+ 143.09409 123.4
[M]- 143.09519 123.4
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.