CID 95970339

(3r,5s)-3,5-dimethylazepane

Structural Information

Molecular Formula
C8H17N
SMILES
C[C@@H]1CCNC[C@@H](C1)C
InChI
InChI=1S/C8H17N/c1-7-3-4-9-6-8(2)5-7/h7-9H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
JUFCUCAZFRNTIB-HTQZYQBOSA-N
Compound name
(3R,5S)-3,5-dimethylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 125.8
[M+Na]+ 150.12532 134.8
[M+NH4]+ 145.16992 133.9
[M+K]+ 166.09926 130.5
[M-H]- 126.12882 127.1
[M+Na-2H]- 148.11077 131.0
[M]+ 127.13555 127.3
[M]- 127.13665 127.3
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

No patent data available for this compound.