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

2
Patents

154.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 135.9
[M+Na]+ 177.09983 143.1
[M-H]- 153.10333 134.3
[M+NH4]+ 172.14443 154.9
[M+K]+ 193.07377 141.2
[M+H-H2O]+ 137.10787 130.0
[M+HCOO]- 199.10881 153.6
[M+CH3COO]- 213.12446 171.0
[M+Na-2H]- 175.08528 140.7
[M]+ 154.11006 133.6
[M]- 154.11116 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