CID 3600718

N,n,2-trimethylpentan-1-amine

Structural Information

Molecular Formula
C8H19N
SMILES
CCCC(C)CN(C)C
InChI
InChI=1S/C8H19N/c1-5-6-8(2)7-9(3)4/h8H,5-7H2,1-4H3
InChIKey
FYRHPVBMURAQJE-UHFFFAOYSA-N
Compound name
N,N,2-trimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

129.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.159026 132.5
[M+Na]+ 152.140968 138.0
[M-H]- 128.144474 134.1
[M+NH4]+ 147.185573 155.2
[M+K]+ 168.114908 139.2
[M+H-H2O]+ 112.149010 127.4
[M+HCOO]- 174.149951 156.2
[M+CH3COO]- 188.165601 182.6
[M+Na-2H]- 150.126416 136.8
[M]+ 129.15120142 134.4
[M]- 129.15229858 134.4
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