CID 81852973

(2,6-dimethyloxan-4-yl)methanamine

Structural Information

Molecular Formula
C8H17NO
SMILES
CC1CC(CC(O1)C)CN
InChI
InChI=1S/C8H17NO/c1-6-3-8(5-9)4-7(2)10-6/h6-8H,3-5,9H2,1-2H3
InChIKey
PXKYQRMDUIMEAZ-UHFFFAOYSA-N
Compound name
(2,6-dimethyloxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 131.7
[M+Na]+ 166.12023 142.2
[M+NH4]+ 161.16483 140.6
[M+K]+ 182.09417 136.7
[M-H]- 142.12373 135.6
[M+Na-2H]- 164.10568 135.9
[M]+ 143.13046 134.1
[M]- 143.13156 134.1
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