CID 3575389

Tert-butyl 5-(hydroxymethyl)pyridin-2-ylcarbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
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

No literature data available for this compound.

Patent stripe

patents stripe