CID 43200840

N-(2-methylbutyl)pentan-1-amine

Structural Information

Molecular Formula
C10H23N
SMILES
CCCCCNCC(C)CC
InChI
InChI=1S/C10H23N/c1-4-6-7-8-11-9-10(3)5-2/h10-11H,4-9H2,1-3H3
InChIKey
BDADJANUJKJACA-UHFFFAOYSA-N
Compound name
N-(2-methylbutyl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

157.18304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.190316 142.1
[M+Na]+ 180.172258 146.5
[M-H]- 156.175764 141.7
[M+NH4]+ 175.216863 163.0
[M+K]+ 196.146198 145.7
[M+H-H2O]+ 140.180300 136.7
[M+HCOO]- 202.181241 164.5
[M+CH3COO]- 216.196891 185.0
[M+Na-2H]- 178.157706 145.9
[M]+ 157.18249142 143.4
[M]- 157.18358858 143.4
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