CID 20069827

1-ethylcycloheptan-1-amine

Structural Information

Molecular Formula
C9H19N
SMILES
CCC1(CCCCCC1)N
InChI
InChI=1S/C9H19N/c1-2-9(10)7-5-3-4-6-8-9/h2-8,10H2,1H3
InChIKey
WJKBJDQVXXTCDN-UHFFFAOYSA-N
Compound name
1-ethylcycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

141.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 128.7
[M+Na]+ 164.14097 136.5
[M+NH4]+ 159.18557 138.4
[M+K]+ 180.11491 130.5
[M-H]- 140.14447 131.2
[M+Na-2H]- 162.12642 135.5
[M]+ 141.15120 130.5
[M]- 141.15230 130.5
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