CID 521948

5,5-dimethylhexan-1-amine

Structural Information

Molecular Formula
C8H19N
SMILES
CC(C)(C)CCCCN
InChI
InChI=1S/C8H19N/c1-8(2,3)6-4-5-7-9/h4-7,9H2,1-3H3
InChIKey
GAHCNYHAKKGGHF-UHFFFAOYSA-N
Compound name
5,5-dimethylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

899
Patents

129.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.159026 132.7
[M+Na]+ 152.140968 138.8
[M-H]- 128.144474 132.5
[M+NH4]+ 147.185573 154.8
[M+K]+ 168.114908 138.1
[M+H-H2O]+ 112.149010 128.4
[M+HCOO]- 174.149951 154.7
[M+CH3COO]- 188.165601 177.0
[M+Na-2H]- 150.126416 138.5
[M]+ 129.15120142 132.4
[M]- 129.15229858 132.4
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