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]+ 142.15903 128.3
[M+Na]+ 164.14097 131.6
[M-H]- 140.14447 132.1
[M+NH4]+ 159.18557 149.8
[M+K]+ 180.11491 134.3
[M+H-H2O]+ 124.14901 123.9
[M+HCOO]- 186.14995 148.0
[M+CH3COO]- 200.16560 179.3
[M+Na-2H]- 162.12642 133.0
[M]+ 141.15120 119.8
[M]- 141.15230 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