CID 23151001

2-(boc-amino)-4-(hydroxymethyl)pyridine

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC(C)(C)OC(=O)NC1=NC=CC(=C1)CO
InChI
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)
InChIKey
WWIMVFCGNYLUMJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(hydroxymethyl)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

224.11609 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 151.1
[M+Na]+ 247.10531 157.8
[M-H]- 223.10881 152.3
[M+NH4]+ 242.14991 167.4
[M+K]+ 263.07925 156.3
[M+H-H2O]+ 207.11335 144.6
[M+HCOO]- 269.11429 171.6
[M+CH3COO]- 283.12994 187.9
[M+Na-2H]- 245.09076 157.0
[M]+ 224.11554 152.2
[M]- 224.11664 152.2
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