CID 11031933

219834-80-7

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(C)(C)OC(=O)NC1=C(C=NC=C1)CCO
InChI
InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-4-6-13-8-9(10)5-7-15/h4,6,8,15H,5,7H2,1-3H3,(H,13,14,16)
InChIKey
JPGIWDGEHZZRAD-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-hydroxyethyl)pyridin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

238.13174 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 155.7
[M+Na]+ 261.12096 162.0
[M-H]- 237.12446 156.7
[M+NH4]+ 256.16556 171.4
[M+K]+ 277.09490 160.2
[M+H-H2O]+ 221.12900 148.9
[M+HCOO]- 283.12994 175.8
[M+CH3COO]- 297.14559 190.9
[M+Na-2H]- 259.10641 161.1
[M]+ 238.13119 157.2
[M]- 238.13229 157.2
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