CID 64175843

3-(aminomethyl)oxan-3-ol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1CC(COC1)(CN)O
InChI
InChI=1S/C6H13NO2/c7-4-6(8)2-1-3-9-5-6/h8H,1-5,7H2
InChIKey
IYXDACBECVMXMC-UHFFFAOYSA-N
Compound name
3-(aminomethyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.09464 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.0
[M+Na]+ 154.08386 132.2
[M-H]- 130.08736 129.0
[M+NH4]+ 149.12846 148.1
[M+K]+ 170.05780 132.5
[M+H-H2O]+ 114.09190 122.4
[M+HCOO]- 176.09284 146.6
[M+CH3COO]- 190.10849 168.4
[M+Na-2H]- 152.06931 134.7
[M]+ 131.09409 121.7
[M]- 131.09519 121.7
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

patents stripe