CID 10903275

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

320.00217 Da
Monoisotopic Mass

2.1
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

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Patent stripe

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