CID 29974196

748762-46-1

Structural Information

Molecular Formula
C6H14N2O
SMILES
C1C[C@H](O[C@H]1CN)CN
InChI
InChI=1S/C6H14N2O/c7-3-5-1-2-6(4-8)9-5/h5-6H,1-4,7-8H2/t5-,6+
InChIKey
XEXIPRQHXNUUAA-OLQVQODUSA-N
Compound name
[(2R,5S)-5-(aminomethyl)oxolan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

130.11061 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.117886 127.8
[M+Na]+ 153.099828 133.4
[M-H]- 129.103334 130.7
[M+NH4]+ 148.144433 149.1
[M+K]+ 169.073768 133.3
[M+H-H2O]+ 113.107870 122.1
[M+HCOO]- 175.108811 151.0
[M+CH3COO]- 189.124461 174.6
[M+Na-2H]- 151.085276 132.1
[M]+ 130.11006142 123.2
[M]- 130.11115858 123.2
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