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 149.4
[M+Na]+ 253.10598 157.4
[M-H]- 229.10948 152.9
[M+NH4]+ 248.15058 165.5
[M+K]+ 269.07992 153.0
[M+H-H2O]+ 213.11402 139.8
[M+HCOO]- 275.11496 169.6
[M+CH3COO]- 289.13061 161.0
[M+Na-2H]- 251.09143 155.8
[M]+ 230.11621 146.8
[M]- 230.11731 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.