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

21
Patents

143.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.174676 138.0
[M+Na]+ 166.156618 142.7
[M-H]- 142.160124 137.9
[M+NH4]+ 161.201223 159.4
[M+K]+ 182.130558 142.6
[M+H-H2O]+ 126.164660 132.9
[M+HCOO]- 188.165601 159.8
[M+CH3COO]- 202.181251 182.8
[M+Na-2H]- 164.142066 141.1
[M]+ 143.16685142 138.3
[M]- 143.16794858 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