CID 79125728

[3-(aminomethyl)oxolan-3-yl]methanol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1COCC1(CN)CO
InChI
InChI=1S/C6H13NO2/c7-3-6(4-8)1-2-9-5-6/h8H,1-5,7H2
InChIKey
XHCVFZMEIWXDDW-UHFFFAOYSA-N
Compound name
[3-(aminomethyl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

131.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 126.5
[M+Na]+ 154.083858 132.5
[M-H]- 130.087364 128.5
[M+NH4]+ 149.128463 149.4
[M+K]+ 170.057798 132.6
[M+H-H2O]+ 114.091900 122.2
[M+HCOO]- 176.092841 148.1
[M+CH3COO]- 190.108491 168.1
[M+Na-2H]- 152.069306 133.0
[M]+ 131.09409142 123.1
[M]- 131.09518858 123.1
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