CID 81390

6951-00-4

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1=CC(=CN=C1)CNCCCO
InChI
InChI=1S/C9H14N2O/c12-6-2-5-11-8-9-3-1-4-10-7-9/h1,3-4,7,11-12H,2,5-6,8H2
InChIKey
DKSQDSSMOUQQRK-UHFFFAOYSA-N
Compound name
3-(pyridin-3-ylmethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

166.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 135.7
[M+Na]+ 189.09983 141.8
[M-H]- 165.10333 136.2
[M+NH4]+ 184.14443 153.9
[M+K]+ 205.07377 139.3
[M+H-H2O]+ 149.10787 128.8
[M+HCOO]- 211.10881 158.8
[M+CH3COO]- 225.12446 178.2
[M+Na-2H]- 187.08528 143.9
[M]+ 166.11006 134.9
[M]- 166.11116 134.9
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

patents stripe