CID 165889177

Tert-butyl n-[5-(2-hydroxyethoxy)pyridin-2-yl]carbamate

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(C)(C)OC(=O)NC1=NC=C(C=C1)OCCO
InChI
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-10-5-4-9(8-13-10)17-7-6-15/h4-5,8,15H,6-7H2,1-3H3,(H,13,14,16)
InChIKey
DMAXICVHTVSHKD-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(2-hydroxyethoxy)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 158.3
[M+Na]+ 277.11588 164.4
[M-H]- 253.11938 159.2
[M+NH4]+ 272.16048 173.2
[M+K]+ 293.08982 163.3
[M+H-H2O]+ 237.12392 151.3
[M+HCOO]- 299.12486 178.7
[M+CH3COO]- 313.14051 193.1
[M+Na-2H]- 275.10133 163.8
[M]+ 254.12611 161.2
[M]- 254.12721 161.2
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

No patent data available for this compound.