CID 43267454

(2-butoxypyridin-3-yl)methanamine

Structural Information

Molecular Formula
C10H16N2O
SMILES
CCCCOC1=C(C=CC=N1)CN
InChI
InChI=1S/C10H16N2O/c1-2-3-7-13-10-9(8-11)5-4-6-12-10/h4-6H,2-3,7-8,11H2,1H3
InChIKey
QZQRWGJWYNZAQV-UHFFFAOYSA-N
Compound name
(2-butoxypyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 140.4
[M+Na]+ 203.11549 147.4
[M-H]- 179.11899 142.0
[M+NH4]+ 198.16009 158.8
[M+K]+ 219.08943 145.2
[M+H-H2O]+ 163.12353 133.3
[M+HCOO]- 225.12447 164.0
[M+CH3COO]- 239.14012 184.3
[M+Na-2H]- 201.10094 146.7
[M]+ 180.12572 141.2
[M]- 180.12682 141.2
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.