CID 72923

4-pyridinepropanol

Structural Information

Molecular Formula
C8H11NO
SMILES
C1=CN=CC=C1CCCO
InChI
InChI=1S/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H2
InChIKey
PZVZGDBCMQBRMA-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1411
Patents

137.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.5
[M+Na]+ 160.073278 134.9
[M-H]- 136.076784 128.3
[M+NH4]+ 155.117883 147.2
[M+K]+ 176.047218 132.8
[M+H-H2O]+ 120.081320 121.3
[M+HCOO]- 182.082261 149.9
[M+CH3COO]- 196.097911 170.3
[M+Na-2H]- 158.058726 135.9
[M]+ 137.08351142 127.1
[M]- 137.08460858 127.1
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