CID 23298149

4-[(tert-butoxycarbonylamino)methyl]-2-cyanopyridine

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-cyano-4-pyridinyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

233.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 156.5
[M+Na]+ 256.105638 164.7
[M-H]- 232.109144 158.1
[M+NH4]+ 251.150243 171.0
[M+K]+ 272.079578 162.9
[M+H-H2O]+ 216.113680 142.8
[M+HCOO]- 278.114621 174.2
[M+CH3COO]- 292.130271 203.7
[M+Na-2H]- 254.091086 161.3
[M]+ 233.11587142 152.7
[M]- 233.11696858 152.7
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