CID 4335932

2-ethylazepane

Structural Information

Molecular Formula
C8H17N
SMILES
CCC1CCCCCN1
InChI
InChI=1S/C8H17N/c1-2-8-6-4-3-5-7-9-8/h8-9H,2-7H2,1H3
InChIKey
ASNQKEGSBHCDHK-UHFFFAOYSA-N
Compound name
2-ethylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 126.3
[M+Na]+ 150.12532 134.9
[M+NH4]+ 145.16992 134.4
[M+K]+ 166.09926 130.4
[M-H]- 126.12882 127.5
[M+Na-2H]- 148.11077 131.6
[M]+ 127.13555 127.7
[M]- 127.13665 127.7
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