CID 3153474

626214-45-7

Structural Information

Molecular Formula
C10H16N2O
SMILES
COCCCNCC1=CC=NC=C1
InChI
InChI=1S/C10H16N2O/c1-13-8-2-5-12-9-10-3-6-11-7-4-10/h3-4,6-7,12H,2,5,8-9H2,1H3
InChIKey
AKJLHLSGKCLQSY-UHFFFAOYSA-N
Compound name
3-methoxy-N-(pyridin-4-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 139.9
[M+Na]+ 203.115488 145.9
[M-H]- 179.118994 141.6
[M+NH4]+ 198.160093 158.2
[M+K]+ 219.089428 144.1
[M+H-H2O]+ 163.123530 132.5
[M+HCOO]- 225.124471 164.1
[M+CH3COO]- 239.140121 183.8
[M+Na-2H]- 201.100936 148.0
[M]+ 180.12572142 141.3
[M]- 180.12681858 141.3
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.