CID 20069586

N-pentyloctan-1-amine

Structural Information

Molecular Formula
C13H29N
SMILES
CCCCCCCCNCCCCC
InChI
InChI=1S/C13H29N/c1-3-5-7-8-9-11-13-14-12-10-6-4-2/h14H,3-13H2,1-2H3
InChIKey
MKZYBVBFFWCQGK-UHFFFAOYSA-N
Compound name
N-pentyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

199.23 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.237276 154.7
[M+Na]+ 222.219218 158.2
[M-H]- 198.222724 153.6
[M+NH4]+ 217.263823 174.0
[M+K]+ 238.193158 156.1
[M+H-H2O]+ 182.227260 148.7
[M+HCOO]- 244.228201 177.2
[M+CH3COO]- 258.243851 193.4
[M+Na-2H]- 220.204666 158.3
[M]+ 199.22945142 157.9
[M]- 199.23054858 157.9
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