CID 86775753

1798717-56-2

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)(C)OC(=O)NCC(CC1=CN=CC=C1)C=O
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-9-12(10-17)7-11-5-4-6-15-8-11/h4-6,8,10,12H,7,9H2,1-3H3,(H,16,18)
InChIKey
NNCHYSGRAHZZTF-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formyl-3-pyridin-3-ylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 163.2
[M+Na]+ 287.136618 168.1
[M-H]- 263.140124 164.9
[M+NH4]+ 282.181223 178.1
[M+K]+ 303.110558 166.7
[M+H-H2O]+ 247.144660 155.7
[M+HCOO]- 309.145601 183.4
[M+CH3COO]- 323.161251 198.2
[M+Na-2H]- 285.122066 167.6
[M]+ 264.14685142 165.6
[M]- 264.14794858 165.6
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

No patent data available for this compound.