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-formylpyridin-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 153.8
[M+Na]+ 259.10531 160.8
[M-H]- 235.10881 156.2
[M+NH4]+ 254.14991 170.2
[M+K]+ 275.07925 159.3
[M+H-H2O]+ 219.11335 146.9
[M+HCOO]- 281.11429 175.6
[M+CH3COO]- 295.12994 192.5
[M+Na-2H]- 257.09076 159.7
[M]+ 236.11554 156.5
[M]- 236.11664 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