CID 111406

2-propanol, 1-[(2-pyridinylmethyl)amino]-

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(CNCC1=CC=CC=N1)O
InChI
InChI=1S/C9H14N2O/c1-8(12)6-10-7-9-4-2-3-5-11-9/h2-5,8,10,12H,6-7H2,1H3
InChIKey
SVJCONVIKRDPJV-UHFFFAOYSA-N
Compound name
1-(pyridin-2-ylmethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

166.11061 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 136.5
[M+Na]+ 189.09983 142.3
[M-H]- 165.10333 137.1
[M+NH4]+ 184.14443 154.6
[M+K]+ 205.07377 140.3
[M+H-H2O]+ 149.10787 129.7
[M+HCOO]- 211.10881 158.6
[M+CH3COO]- 225.12446 179.0
[M+Na-2H]- 187.08528 143.4
[M]+ 166.11006 135.1
[M]- 166.11116 135.1
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