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]+ 181.133546 141.1
[M+Na]+ 203.115488 146.5
[M-H]- 179.118994 141.5
[M+NH4]+ 198.160093 158.6
[M+K]+ 219.089428 144.2
[M+H-H2O]+ 163.123530 134.0
[M+HCOO]- 225.124471 162.8
[M+CH3COO]- 239.140121 182.0
[M+Na-2H]- 201.100936 147.4
[M]+ 180.12572142 140.0
[M]- 180.12681858 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.