CID 165690044

2731008-04-9

Structural Information

Molecular Formula
C12H14N4O
SMILES
C1CN(CCC1C2=NC3=CC=CC=C3N2)N=O
InChI
InChI=1S/C12H14N4O/c17-15-16-7-5-9(6-8-16)12-13-10-3-1-2-4-11(10)14-12/h1-4,9H,5-8H2,(H,13,14)
InChIKey
IHOBDEFDXZXTHP-UHFFFAOYSA-N
Compound name
2-(1-nitrosopiperidin-4-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.124036 149.4
[M+Na]+ 253.105978 157.4
[M-H]- 229.109484 152.9
[M+NH4]+ 248.150583 165.5
[M+K]+ 269.079918 153.0
[M+H-H2O]+ 213.114020 139.8
[M+HCOO]- 275.114961 169.6
[M+CH3COO]- 289.130611 161.0
[M+Na-2H]- 251.091426 155.8
[M]+ 230.11621142 146.8
[M]- 230.11730858 146.8
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

No patent data available for this compound.