CID 130880999

1935233-35-4

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NC=C1)C=O
InChI
InChI=1S/C12H16N2O3/c1-12(2,3)17-11(16)14-7-9-4-5-13-10(6-9)8-15/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKey
MLABONLIUIFJNB-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-formyl-4-pyridinyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 153.8
[M+Na]+ 259.105308 160.8
[M-H]- 235.108814 156.2
[M+NH4]+ 254.149913 170.2
[M+K]+ 275.079248 159.3
[M+H-H2O]+ 219.113350 146.9
[M+HCOO]- 281.114291 175.6
[M+CH3COO]- 295.129941 192.5
[M+Na-2H]- 257.090756 159.7
[M]+ 236.11554142 156.5
[M]- 236.11663858 156.5
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