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]+ 144.138286 132.8
[M+Na]+ 166.120228 138.7
[M-H]- 142.123734 136.3
[M+NH4]+ 161.164833 152.9
[M+K]+ 182.094168 138.7
[M+H-H2O]+ 126.128270 127.5
[M+HCOO]- 188.129211 153.0
[M+CH3COO]- 202.144861 177.7
[M+Na-2H]- 164.105676 137.4
[M]+ 143.13046142 129.1
[M]- 143.13155858 129.1
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