CID 89384

5-(azepan-2-yl)pentan-1-amine

Structural Information

Molecular Formula
C11H24N2
SMILES
C1CCC(NCC1)CCCCCN
InChI
InChI=1S/C11H24N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h11,13H,1-10,12H2
InChIKey
MPSFGRAGPXQWOM-UHFFFAOYSA-N
Compound name
5-(azepan-2-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

184.19395 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.201226 142.4
[M+Na]+ 207.183168 142.9
[M-H]- 183.186674 142.3
[M+NH4]+ 202.227773 158.1
[M+K]+ 223.157108 144.4
[M+H-H2O]+ 167.191210 135.2
[M+HCOO]- 229.192151 158.9
[M+CH3COO]- 243.207801 184.4
[M+Na-2H]- 205.168616 145.2
[M]+ 184.19340142 132.8
[M]- 184.19449858 132.8
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