CID 141039

4-(tert-butyl)pyridine 1-oxide

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)(C)C1=CC=[N+](C=C1)[O-]
InChI
InChI=1S/C9H13NO/c1-9(2,3)8-4-6-10(11)7-5-8/h4-7H,1-3H3
InChIKey
CMFQXPIZAKBRCG-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

151.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.0
[M+Na]+ 174.08894 140.5
[M-H]- 150.09244 133.6
[M+NH4]+ 169.13354 151.5
[M+K]+ 190.06288 134.2
[M+H-H2O]+ 134.09698 131.6
[M+HCOO]- 196.09792 153.2
[M+CH3COO]- 210.11357 167.1
[M+Na-2H]- 172.07439 141.9
[M]+ 151.09917 130.1
[M]- 151.10027 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe