CID 388079

Nsc682542

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)CO)C
InChI
InChI=1S/C16H22N2O2/c1-15(2)11(10-19)8-9-16(3,20-15)14-17-12-6-4-5-7-13(12)18-14/h4-7,11,19H,8-10H2,1-3H3,(H,17,18)
InChIKey
IRCXCKNENYJVPV-UHFFFAOYSA-N
Compound name
[6-(1H-benzimidazol-2-yl)-2,2,6-trimethyloxan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 163.6
[M+Na]+ 297.15734 172.8
[M-H]- 273.16084 167.1
[M+NH4]+ 292.20194 181.7
[M+K]+ 313.13128 168.8
[M+H-H2O]+ 257.16538 156.3
[M+HCOO]- 319.16632 179.0
[M+CH3COO]- 333.18197 174.8
[M+Na-2H]- 295.14279 168.8
[M]+ 274.16757 163.0
[M]- 274.16867 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.