CID 58134851

(3-aminooxolan-3-yl)methanol

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1COCC1(CO)N
InChI
InChI=1S/C5H11NO2/c6-5(3-7)1-2-8-4-5/h7H,1-4,6H2
InChIKey
OJPSWNKHXFWIQJ-UHFFFAOYSA-N
Compound name
(3-aminooxolan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

117.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 121.9
[M+Na]+ 140.068198 128.4
[M-H]- 116.071704 124.1
[M+NH4]+ 135.112803 145.4
[M+K]+ 156.042138 128.7
[M+H-H2O]+ 100.076240 117.8
[M+HCOO]- 162.077181 143.9
[M+CH3COO]- 176.092831 165.1
[M+Na-2H]- 138.053646 129.0
[M]+ 117.07843142 118.2
[M]- 117.07952858 118.2
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