CID 21874757

153646-84-5

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)C1=CC=CC(=N1)CO
InChI
InChI=1S/C9H13NO/c1-7(2)9-5-3-4-8(6-11)10-9/h3-5,7,11H,6H2,1-2H3
InChIKey
BBJLWUHYWOHHFF-UHFFFAOYSA-N
Compound name
(6-propan-2-ylpyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.0
[M+Na]+ 174.08894 139.7
[M-H]- 150.09244 133.1
[M+NH4]+ 169.13354 151.5
[M+K]+ 190.06288 137.8
[M+H-H2O]+ 134.09698 126.0
[M+HCOO]- 196.09792 153.1
[M+CH3COO]- 210.11357 175.3
[M+Na-2H]- 172.07439 137.9
[M]+ 151.09917 131.8
[M]- 151.10027 131.8
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

patents stripe