CID 12707096

[2-(aminomethyl)-1,3-dioxolan-2-yl]methanol

Structural Information

Molecular Formula
C5H11NO3
SMILES
C1COC(O1)(CN)CO
InChI
InChI=1S/C5H11NO3/c6-3-5(4-7)8-1-2-9-5/h7H,1-4,6H2
InChIKey
IHCUWMCJSHIRRP-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

133.0739 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 124.8
[M+Na]+ 156.063118 131.3
[M-H]- 132.066624 127.6
[M+NH4]+ 151.107723 146.3
[M+K]+ 172.037058 132.9
[M+H-H2O]+ 116.071160 120.8
[M+HCOO]- 178.072101 146.0
[M+CH3COO]- 192.087751 167.4
[M+Na-2H]- 154.048566 132.9
[M]+ 133.07335142 123.3
[M]- 133.07444858 123.3
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