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-butoxy-3-pyridinyl)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]+ 181.133546 140.4
[M+Na]+ 203.115488 147.4
[M-H]- 179.118994 142.0
[M+NH4]+ 198.160093 158.8
[M+K]+ 219.089428 145.2
[M+H-H2O]+ 163.123530 133.3
[M+HCOO]- 225.124471 164.0
[M+CH3COO]- 239.140121 184.3
[M+Na-2H]- 201.100936 146.7
[M]+ 180.12572142 141.2
[M]- 180.12681858 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.