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

49
Patents

129.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.15903 133.9
[M+Na]+ 152.14097 139.0
[M-H]- 128.14447 133.4
[M+NH4]+ 147.18557 155.6
[M+K]+ 168.11491 138.8
[M+H-H2O]+ 112.14901 129.0
[M+HCOO]- 174.14995 155.4
[M+CH3COO]- 188.16560 179.1
[M+Na-2H]- 150.12642 136.4
[M]+ 129.15120 132.7
[M]- 129.15230 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