CID 138630

2-tert-butylpyridine

Structural Information

Molecular Formula
C9H13N
SMILES
CC(C)(C)C1=CC=CC=N1
InChI
InChI=1S/C9H13N/c1-9(2,3)8-6-4-5-7-10-8/h4-7H,1-3H3
InChIKey
UUIMDJFBHNDZOW-UHFFFAOYSA-N
Compound name
2-tert-butylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

10780
Patents

135.1048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 128.4
[M+Na]+ 158.09402 136.5
[M-H]- 134.09752 130.9
[M+NH4]+ 153.13862 149.3
[M+K]+ 174.06796 135.0
[M+H-H2O]+ 118.10206 122.8
[M+HCOO]- 180.10300 150.2
[M+CH3COO]- 194.11865 173.8
[M+Na-2H]- 156.07947 137.5
[M]+ 135.10425 128.4
[M]- 135.10535 128.4
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