CID 155821136

2460739-43-7

Structural Information

Molecular Formula
C11H17NO
SMILES
C[C@@H](C1=NC=CC(=C1)C(C)(C)C)O
InChI
InChI=1S/C11H17NO/c1-8(13)10-7-9(5-6-12-10)11(2,3)4/h5-8,13H,1-4H3/t8-/m0/s1
InChIKey
LUCMPRMHMZTCRR-QMMMGPOBSA-N
Compound name
(1S)-1-(4-tert-butyl-2-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.2
[M+Na]+ 202.120228 148.6
[M-H]- 178.123734 142.4
[M+NH4]+ 197.164833 159.8
[M+K]+ 218.094168 146.7
[M+H-H2O]+ 162.128270 135.5
[M+HCOO]- 224.129211 160.0
[M+CH3COO]- 238.144861 181.0
[M+Na-2H]- 200.105676 146.7
[M]+ 179.13046142 141.1
[M]- 179.13155858 141.1
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

No patent data available for this compound.