CID 55290733

4,4-dimethylcycloheptan-1-amine

Structural Information

Molecular Formula
C9H19N
SMILES
CC1(CCCC(CC1)N)C
InChI
InChI=1S/C9H19N/c1-9(2)6-3-4-8(10)5-7-9/h8H,3-7,10H2,1-2H3
InChIKey
OHAGXVKMIWECGJ-UHFFFAOYSA-N
Compound name
4,4-dimethylcycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

141.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.159026 128.3
[M+Na]+ 164.140968 131.6
[M-H]- 140.144474 132.1
[M+NH4]+ 159.185573 149.8
[M+K]+ 180.114908 134.3
[M+H-H2O]+ 124.149010 123.9
[M+HCOO]- 186.149951 148.0
[M+CH3COO]- 200.165601 179.3
[M+Na-2H]- 162.126416 133.0
[M]+ 141.15120142 119.8
[M]- 141.15229858 119.8
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