CID 92038238

1-pentanamine, n,n-bis(2-methylbutyl)-

Structural Information

Molecular Formula
C15H33N
SMILES
CCCCCN(CC(C)CC)CC(C)CC
InChI
InChI=1S/C15H33N/c1-6-9-10-11-16(12-14(4)7-2)13-15(5)8-3/h14-15H,6-13H2,1-5H3
InChIKey
WWTJBVWOTMTEGG-UHFFFAOYSA-N
Compound name
N,N-bis(2-methylbutyl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.2613 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.26858 165.7
[M+Na]+ 250.25052 168.1
[M-H]- 226.25402 165.9
[M+NH4]+ 245.29512 184.4
[M+K]+ 266.22446 167.8
[M+H-H2O]+ 210.25856 159.2
[M+HCOO]- 272.25950 186.0
[M+CH3COO]- 286.27515 204.5
[M+Na-2H]- 248.23597 164.7
[M]+ 227.26075 169.5
[M]- 227.26185 169.5
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

No patent data available for this compound.