CID 97924

6628-83-7

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CCOC(C1)CN
InChI
InChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2
InChIKey
NYGCBQKDTGBHSC-UHFFFAOYSA-N
Compound name
oxan-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

585
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 123.6
[M+Na]+ 138.08894 133.8
[M+NH4]+ 133.13354 132.8
[M+K]+ 154.06288 128.4
[M-H]- 114.09244 127.5
[M+Na-2H]- 136.07439 128.7
[M]+ 115.09917 125.9
[M]- 115.10027 125.9
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