CID 420586

2,6-dimethyloxan-4-amine

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1CC(CC(O1)C)N
InChI
InChI=1S/C7H15NO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4,8H2,1-2H3
InChIKey
KFHJTIAGNFALSH-UHFFFAOYSA-N
Compound name
2,6-dimethyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

129.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.2
[M+Na]+ 152.104588 134.4
[M-H]- 128.108094 131.8
[M+NH4]+ 147.149193 148.8
[M+K]+ 168.078528 134.7
[M+H-H2O]+ 112.112630 123.0
[M+HCOO]- 174.113571 148.7
[M+CH3COO]- 188.129221 174.7
[M+Na-2H]- 150.090036 133.3
[M]+ 129.11482142 124.1
[M]- 129.11591858 124.1
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