CID 82598288

3-(1-methylazepan-4-yl)propan-1-amine

Structural Information

Molecular Formula
C10H22N2
SMILES
CN1CCCC(CC1)CCCN
InChI
InChI=1S/C10H22N2/c1-12-8-3-5-10(6-9-12)4-2-7-11/h10H,2-9,11H2,1H3
InChIKey
AHRNBYWAKSGQMG-UHFFFAOYSA-N
Compound name
3-(1-methylazepan-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1783 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.185576 137.3
[M+Na]+ 193.167518 139.5
[M-H]- 169.171024 139.1
[M+NH4]+ 188.212123 154.5
[M+K]+ 209.141458 142.1
[M+H-H2O]+ 153.175560 130.4
[M+HCOO]- 215.176501 155.5
[M+CH3COO]- 229.192151 185.1
[M+Na-2H]- 191.152966 140.4
[M]+ 170.17775142 129.5
[M]- 170.17884858 129.5
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

No patent data available for this compound.