CID 11412479

3-[(pyridin-2-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1=CC=NC(=C1)NCCCO
InChI
InChI=1S/C8H12N2O/c11-7-3-6-10-8-4-1-2-5-9-8/h1-2,4-5,11H,3,6-7H2,(H,9,10)
InChIKey
QTTQBQLTBUGHCD-UHFFFAOYSA-N
Compound name
3-(pyridin-2-ylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

152.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.2
[M+Na]+ 175.08418 137.7
[M-H]- 151.08768 131.9
[M+NH4]+ 170.12878 149.9
[M+K]+ 191.05812 135.4
[M+H-H2O]+ 135.09222 124.5
[M+HCOO]- 197.09316 154.6
[M+CH3COO]- 211.10881 175.1
[M+Na-2H]- 173.06963 139.9
[M]+ 152.09441 130.0
[M]- 152.09551 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe