CID 18799645

(4-(tert-butyl)pyridin-2-yl)methanol

Structural Information

Molecular Formula
C10H15NO
SMILES
CC(C)(C)C1=CC(=NC=C1)CO
InChI
InChI=1S/C10H15NO/c1-10(2,3)8-4-5-11-9(6-8)7-12/h4-6,12H,7H2,1-3H3
InChIKey
AIOQNFLGOFMATK-UHFFFAOYSA-N
Compound name
(4-tert-butyl-2-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

165.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 136.9
[M+Na]+ 188.104588 145.1
[M-H]- 164.108094 138.2
[M+NH4]+ 183.149193 156.2
[M+K]+ 204.078528 142.9
[M+H-H2O]+ 148.112630 131.4
[M+HCOO]- 210.113571 157.1
[M+CH3COO]- 224.129221 177.1
[M+Na-2H]- 186.090036 144.2
[M]+ 165.11482142 137.2
[M]- 165.11591858 137.2
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