CID 53730595

(1-ethylcyclohexyl)methanamine

Structural Information

Molecular Formula
C9H19N
SMILES
CCC1(CCCCC1)CN
InChI
InChI=1S/C9H19N/c1-2-9(8-10)6-4-3-5-7-9/h2-8,10H2,1H3
InChIKey
CNPQVEJSVQNWMV-UHFFFAOYSA-N
Compound name
(1-ethylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

141.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.159026 133.7
[M+Na]+ 164.140968 138.1
[M-H]- 140.144474 136.0
[M+NH4]+ 159.185573 156.6
[M+K]+ 180.114908 136.7
[M+H-H2O]+ 124.149010 128.8
[M+HCOO]- 186.149951 154.3
[M+CH3COO]- 200.165601 176.1
[M+Na-2H]- 162.126416 139.2
[M]+ 141.15120142 127.8
[M]- 141.15229858 127.8
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