CID 2773210

130290-79-8

Structural Information

Molecular Formula
C6H13NO
SMILES
C1COCCC1CN
InChI
InChI=1S/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
InChIKey
IPBPLHNLRKRLPJ-UHFFFAOYSA-N
Compound name
oxan-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3557
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 123.8
[M+Na]+ 138.088938 128.5
[M-H]- 114.092444 126.8
[M+NH4]+ 133.133543 144.3
[M+K]+ 154.062878 129.1
[M+H-H2O]+ 98.096980 118.3
[M+HCOO]- 160.097921 144.7
[M+CH3COO]- 174.113571 169.3
[M+Na-2H]- 136.074386 130.8
[M]+ 115.09917142 118.6
[M]- 115.10026858 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe