CID 4712765

2-{[(pyridin-2-yl)methyl]amino}butan-1-ol

Structural Information

Molecular Formula
C10H16N2O
SMILES
CCC(CO)NCC1=CC=CC=N1
InChI
InChI=1S/C10H16N2O/c1-2-9(8-13)12-7-10-5-3-4-6-11-10/h3-6,9,12-13H,2,7-8H2,1H3
InChIKey
FWMIVMPEGRQSPH-UHFFFAOYSA-N
Compound name
2-(pyridin-2-ylmethylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 141.1
[M+Na]+ 203.11549 146.5
[M-H]- 179.11899 141.5
[M+NH4]+ 198.16009 158.6
[M+K]+ 219.08943 144.2
[M+H-H2O]+ 163.12353 134.0
[M+HCOO]- 225.12447 162.8
[M+CH3COO]- 239.14012 182.0
[M+Na-2H]- 201.10094 147.4
[M]+ 180.12572 140.0
[M]- 180.12682 140.0
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.