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]+ 231.12404 150.5
[M+Na]+ 253.10598 163.3
[M+NH4]+ 248.15058 158.4
[M+K]+ 269.07992 158.2
[M-H]- 229.10948 153.5
[M+Na-2H]- 251.09143 157.7
[M]+ 230.11621 152.9
[M]- 230.11731 152.9
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.