CID 44805

N,n-dimethyl-4-heptylamine hydrochloride

Structural Information

Molecular Formula
C9H21N
SMILES
CCCC(CCC)N(C)C
InChI
InChI=1S/C9H21N/c1-5-7-9(8-6-2)10(3)4/h9H,5-8H2,1-4H3
InChIKey
OFTGYFQPRTVGCW-UHFFFAOYSA-N
Compound name
N,N-dimethylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

143.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.17468 137.2
[M+Na]+ 166.15662 142.3
[M-H]- 142.16012 138.6
[M+NH4]+ 161.20122 159.4
[M+K]+ 182.13056 143.2
[M+H-H2O]+ 126.16466 131.9
[M+HCOO]- 188.16560 160.6
[M+CH3COO]- 202.18125 185.6
[M+Na-2H]- 164.14207 140.9
[M]+ 143.16685 139.5
[M]- 143.16795 139.5
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