CID 11484026

(4-iodo-pyridin-2-yl)-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C10H13IN2O2
SMILES
CC(C)(C)OC(=O)NC1=NC=CC(=C1)I
InChI
InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey
TTYADBPTZJSAMH-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-iodopyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

320.00217 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00945 159.8
[M+Na]+ 342.99139 160.0
[M-H]- 318.99489 155.3
[M+NH4]+ 338.03599 172.3
[M+K]+ 358.96533 164.5
[M+H-H2O]+ 302.99943 149.5
[M+HCOO]- 365.00037 176.4
[M+CH3COO]- 379.01602 196.3
[M+Na-2H]- 340.97684 153.6
[M]+ 320.00162 158.3
[M]- 320.00272 158.3
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