CID 20509

2-cyclohexylethanamine

Structural Information

Molecular Formula
C8H17N
SMILES
C1CCC(CC1)CCN
InChI
InChI=1S/C8H17N/c9-7-6-8-4-2-1-3-5-8/h8H,1-7,9H2
InChIKey
HFACYWDPMNWMIW-UHFFFAOYSA-N
Compound name
2-cyclohexylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6503
Patents

127.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 129.5
[M+Na]+ 150.125318 133.3
[M-H]- 126.128824 131.5
[M+NH4]+ 145.169923 150.8
[M+K]+ 166.099258 132.0
[M+H-H2O]+ 110.133360 123.8
[M+HCOO]- 172.134301 150.3
[M+CH3COO]- 186.149951 173.5
[M+Na-2H]- 148.110766 134.4
[M]+ 127.13555142 122.9
[M]- 127.13664858 122.9
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