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-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 156.5
[M+Na]+ 256.10564 164.7
[M-H]- 232.10914 158.1
[M+NH4]+ 251.15024 171.0
[M+K]+ 272.07958 162.9
[M+H-H2O]+ 216.11368 142.8
[M+HCOO]- 278.11462 174.2
[M+CH3COO]- 292.13027 203.7
[M+Na-2H]- 254.09109 161.3
[M]+ 233.11587 152.7
[M]- 233.11697 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