CID 23298149

214472-06-7

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

CC(C)(C)OC(=O)NCC1=CC(=NC=C1)C#N

InChI

InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-8-9-4-5-14-10(6-9)7-13/h4-6H,8H2,1-3H3,(H,15,16)

InChIKey

RVMVGHFPBFHBTD-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-cyanopyridin-4-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 233.11642 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.12370	155.3
[M+Na]+	256.10564	165.2
[M+NH4]+	251.15024	158.2
[M+K]+	272.07958	157.4
[M-H]-	232.10914	148.5
[M+Na-2H]-	254.09109	157.9
[M]+	233.11587	153.8
[M]-	233.11697	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe