CID 30315

1-butanamine, n-(2-methylpropyl)-

Structural Information

Molecular Formula
C8H19N
SMILES
CCCCNCC(C)C
InChI
InChI=1S/C8H19N/c1-4-5-6-9-7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKey
CCRUHKGZAQXBKC-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1104
Patents

129.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.159026 132.8
[M+Na]+ 152.140968 138.1
[M-H]- 128.144474 132.8
[M+NH4]+ 147.185573 154.9
[M+K]+ 168.114908 137.9
[M+H-H2O]+ 112.149010 127.9
[M+HCOO]- 174.149951 156.0
[M+CH3COO]- 188.165601 179.0
[M+Na-2H]- 150.126416 137.8
[M]+ 129.15120142 133.4
[M]- 129.15229858 133.4
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