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
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

130.11061 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 127.8
[M+Na]+ 153.09983 133.4
[M-H]- 129.10333 130.7
[M+NH4]+ 148.14443 149.1
[M+K]+ 169.07377 133.3
[M+H-H2O]+ 113.10787 122.1
[M+HCOO]- 175.10881 151.0
[M+CH3COO]- 189.12446 174.6
[M+Na-2H]- 151.08528 132.1
[M]+ 130.11006 123.2
[M]- 130.11116 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