CID 18673284

2-butyl-n-octan-1-amine

Structural Information

Molecular Formula
C12H27N
SMILES
CCCCCCC(CCCC)CN
InChI
InChI=1S/C12H27N/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12H,3-11,13H2,1-2H3
InChIKey
OOCWTIOGJOIPGS-UHFFFAOYSA-N
Compound name
2-butyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

185.21436 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.221636 151.6
[M+Na]+ 208.203578 155.3
[M-H]- 184.207084 150.3
[M+NH4]+ 203.248183 171.2
[M+K]+ 224.177518 153.6
[M+H-H2O]+ 168.211620 145.9
[M+HCOO]- 230.212561 172.8
[M+CH3COO]- 244.228211 190.4
[M+Na-2H]- 206.189026 153.3
[M]+ 185.21381142 152.7
[M]- 185.21490858 152.7
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