CID 43379491

1185692-43-6

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=CC2=C(C=C1)N=C(N2)C3CCCN3
InChI
InChI=1S/C12H15N3/c1-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3,(H,14,15)
InChIKey
GHTGLFGDGAUKFP-UHFFFAOYSA-N
Compound name
6-methyl-2-pyrrolidin-2-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

201.1266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 144.9
[M+Na]+ 224.115818 153.8
[M-H]- 200.119324 146.5
[M+NH4]+ 219.160423 163.4
[M+K]+ 240.089758 148.3
[M+H-H2O]+ 184.123860 137.1
[M+HCOO]- 246.124801 163.1
[M+CH3COO]- 260.140451 156.7
[M+Na-2H]- 222.101266 147.9
[M]+ 201.12605142 141.1
[M]- 201.12714858 141.1
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