CID 18722285

2-(1h-imidazol-1-yl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)(CO)N1C=CN=C1
InChI
InChI=1S/C7H12N2O/c1-7(2,5-10)9-4-3-8-6-9/h3-4,6,10H,5H2,1-2H3
InChIKey
ZPSDEGWZSDRWKO-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

140.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 130.3
[M+Na]+ 163.08418 138.4
[M-H]- 139.08768 130.0
[M+NH4]+ 158.12878 150.4
[M+K]+ 179.05812 137.2
[M+H-H2O]+ 123.09222 124.1
[M+HCOO]- 185.09316 150.7
[M+CH3COO]- 199.10881 170.5
[M+Na-2H]- 161.06963 137.2
[M]+ 140.09441 130.2
[M]- 140.09551 130.2
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