CID 41703

5-butyl-5-nonanamine hydrochloride

Structural Information

Molecular Formula
C13H29N
SMILES
CCCCC(CCCC)(CCCC)N
InChI
InChI=1S/C13H29N/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12,14H2,1-3H3
InChIKey
OBAIHIAMAJBZHZ-UHFFFAOYSA-N
Compound name
5-butylnonan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1463
Patents

199.23 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.23728 153.4
[M+Na]+ 222.21922 161.7
[M+NH4]+ 217.26382 160.8
[M+K]+ 238.19316 154.9
[M-H]- 198.22272 153.2
[M+Na-2H]- 220.20467 155.9
[M]+ 199.22945 154.4
[M]- 199.23055 154.4
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