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]+ 265.15468 163.2
[M+Na]+ 287.13662 168.1
[M-H]- 263.14012 164.9
[M+NH4]+ 282.18122 178.1
[M+K]+ 303.11056 166.7
[M+H-H2O]+ 247.14466 155.7
[M+HCOO]- 309.14560 183.4
[M+CH3COO]- 323.16125 198.2
[M+Na-2H]- 285.12207 167.6
[M]+ 264.14685 165.6
[M]- 264.14795 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.