CID 16761713

Oxan-3-ylmethanamine

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(COC1)CN
InChI
InChI=1S/C6H13NO/c7-4-6-2-1-3-8-5-6/h6H,1-5,7H2
InChIKey
ZTCHEOLGUZDPAN-UHFFFAOYSA-N
Compound name
oxan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

543
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

No literature data available for this compound.

Patent stripe

patents stripe