CID 45091832

1-(1h-imidazol-2-yl)-2,2-dimethylpropan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)(C)C(C1=NC=CN1)O
InChI
InChI=1S/C8H14N2O/c1-8(2,3)6(11)7-9-4-5-10-7/h4-6,11H,1-3H3,(H,9,10)
InChIKey
PXIRDYSRNUVMRP-UHFFFAOYSA-N
Compound name
1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 135.9
[M+Na]+ 177.099828 143.1
[M-H]- 153.103334 134.3
[M+NH4]+ 172.144433 154.9
[M+K]+ 193.073768 141.2
[M+H-H2O]+ 137.107870 130.0
[M+HCOO]- 199.108811 153.6
[M+CH3COO]- 213.124461 171.0
[M+Na-2H]- 175.085276 140.7
[M]+ 154.11006142 133.6
[M]- 154.11115858 133.6
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