CID 53256718

814263-30-4

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1)C#N
InChI
InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)13-7-9/h4-5,7H,1-3H3,(H,14,15)
InChIKey
PORXJOIBOYMOMQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-cyano-3-pyridinyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 152.5
[M+Na]+ 242.089988 161.1
[M-H]- 218.093494 154.3
[M+NH4]+ 237.134593 167.6
[M+K]+ 258.063928 159.5
[M+H-H2O]+ 202.098030 139.0
[M+HCOO]- 264.098971 170.5
[M+CH3COO]- 278.114621 201.0
[M+Na-2H]- 240.075436 157.8
[M]+ 219.10022142 148.4
[M]- 219.10131858 148.4
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