CID 20028890

Tert-butyl ((4-chloropyridin-2-yl)methyl)carbamate

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CC(C)(C)OC(=O)NCC1=NC=CC(=C1)Cl
InChI
InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-7-9-6-8(12)4-5-13-9/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey
CLIIHUOFOCDSDJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-chloro-2-pyridinyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

242.0822 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.089476 153.6
[M+Na]+ 265.071418 161.6
[M-H]- 241.074924 156.0
[M+NH4]+ 260.116023 170.8
[M+K]+ 281.045358 158.4
[M+H-H2O]+ 225.079460 147.7
[M+HCOO]- 287.080401 170.8
[M+CH3COO]- 301.096051 192.1
[M+Na-2H]- 263.056866 159.4
[M]+ 242.08165142 157.2
[M]- 242.08274858 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