CID 544854

2-ethylcyclohexan-1-amine

Structural Information

Molecular Formula
C8H17N
SMILES
CCC1CCCCC1N
InChI
InChI=1S/C8H17N/c1-2-7-5-3-4-6-8(7)9/h7-8H,2-6,9H2,1H3
InChIKey
QOPVVDFTPKWSFL-UHFFFAOYSA-N
Compound name
2-ethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

650
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 128.6
[M+Na]+ 150.12532 138.9
[M+NH4]+ 145.16992 138.2
[M+K]+ 166.09926 132.4
[M-H]- 126.12882 131.7
[M+Na-2H]- 148.11077 134.0
[M]+ 127.13555 130.8
[M]- 127.13665 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe