CID 19083263

3,4-dimethylhexan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H19N
SMILES
CCC(C)C(C)CCN
InChI
InChI=1S/C8H19N/c1-4-7(2)8(3)5-6-9/h7-8H,4-6,9H2,1-3H3
InChIKey
BMRPIHRBNXNHFS-UHFFFAOYSA-N
Compound name
3,4-dimethylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
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 133.9
[M+Na]+ 152.140968 139.0
[M-H]- 128.144474 133.4
[M+NH4]+ 147.185573 155.6
[M+K]+ 168.114908 138.8
[M+H-H2O]+ 112.149010 129.0
[M+HCOO]- 174.149951 155.4
[M+CH3COO]- 188.165601 179.1
[M+Na-2H]- 150.126416 136.4
[M]+ 129.15120142 132.7
[M]- 129.15229858 132.7
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