CID 72212593

1196157-44-4

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1)CCl
InChI
InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)13-7-9/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKey
IVBUYIHNUQKKNF-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-(chloromethyl)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0822 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 153.6
[M+Na]+ 265.07142 161.6
[M-H]- 241.07492 156.0
[M+NH4]+ 260.11602 170.8
[M+K]+ 281.04536 158.4
[M+H-H2O]+ 225.07946 147.7
[M+HCOO]- 287.08040 170.8
[M+CH3COO]- 301.09605 192.1
[M+Na-2H]- 263.05687 159.4
[M]+ 242.08165 157.2
[M]- 242.08275 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

No patent data available for this compound.