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]+ 171.18558 137.3
[M+Na]+ 193.16752 139.5
[M-H]- 169.17102 139.1
[M+NH4]+ 188.21212 154.5
[M+K]+ 209.14146 142.1
[M+H-H2O]+ 153.17556 130.4
[M+HCOO]- 215.17650 155.5
[M+CH3COO]- 229.19215 185.1
[M+Na-2H]- 191.15297 140.4
[M]+ 170.17775 129.5
[M]- 170.17885 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.