CID 69675939

[2-(aminomethyl)oxolan-2-yl]methanol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1CC(OC1)(CN)CO
InChI
InChI=1S/C6H13NO2/c7-4-6(5-8)2-1-3-9-6/h8H,1-5,7H2
InChIKey
CFDDSPSJOUBOPH-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 126.5
[M+Na]+ 154.08386 132.5
[M-H]- 130.08736 128.5
[M+NH4]+ 149.12846 149.4
[M+K]+ 170.05780 132.6
[M+H-H2O]+ 114.09190 122.2
[M+HCOO]- 176.09284 148.1
[M+CH3COO]- 190.10849 168.1
[M+Na-2H]- 152.06931 133.0
[M]+ 131.09409 123.1
[M]- 131.09519 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