CID 28428271

(2-methylpropyl)(pentan-3-yl)amine

Structural Information

Molecular Formula
C9H21N
SMILES
CCC(CC)NCC(C)C
InChI
InChI=1S/C9H21N/c1-5-9(6-2)10-7-8(3)4/h8-10H,5-7H2,1-4H3
InChIKey
SMLLWBRDZNXWLV-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)pentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

143.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.17468 138.0
[M+Na]+ 166.15662 142.7
[M-H]- 142.16012 137.9
[M+NH4]+ 161.20122 159.4
[M+K]+ 182.13056 142.6
[M+H-H2O]+ 126.16466 132.9
[M+HCOO]- 188.16560 159.8
[M+CH3COO]- 202.18125 182.8
[M+Na-2H]- 164.14207 141.1
[M]+ 143.16685 138.3
[M]- 143.16795 138.3
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