CID 43608754

4-(aminomethyl)oxan-4-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1COCCC1(CN)O
InChI
InChI=1S/C6H13NO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5,7H2
InChIKey
CGPIFQOTBHKPNM-UHFFFAOYSA-N
Compound name
4-(aminomethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

955
Patents

131.09464 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 127.0
[M+Na]+ 154.083858 132.2
[M-H]- 130.087364 129.0
[M+NH4]+ 149.128463 148.1
[M+K]+ 170.057798 132.5
[M+H-H2O]+ 114.091900 122.4
[M+HCOO]- 176.092841 146.6
[M+CH3COO]- 190.108491 168.4
[M+Na-2H]- 152.069306 134.7
[M]+ 131.09409142 121.7
[M]- 131.09518858 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