CID 529353

4-methyl-2-(propan-2-yl)pyridine

Structural Information

Molecular Formula
C9H13N
SMILES
CC1=CC(=NC=C1)C(C)C
InChI
InChI=1S/C9H13N/c1-7(2)9-6-8(3)4-5-10-9/h4-7H,1-3H3
InChIKey
IQTHCDAGRCAFJT-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

528
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 127.6
[M+Na]+ 158.09402 135.8
[M-H]- 134.09752 130.2
[M+NH4]+ 153.13862 148.5
[M+K]+ 174.06796 134.4
[M+H-H2O]+ 118.10206 121.6
[M+HCOO]- 180.10300 149.9
[M+CH3COO]- 194.11865 176.0
[M+Na-2H]- 156.07947 134.2
[M]+ 135.10425 127.8
[M]- 135.10535 127.8
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