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

4
Patents

201.1266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 144.9
[M+Na]+ 224.11582 153.8
[M-H]- 200.11932 146.5
[M+NH4]+ 219.16042 163.4
[M+K]+ 240.08976 148.3
[M+H-H2O]+ 184.12386 137.1
[M+HCOO]- 246.12480 163.1
[M+CH3COO]- 260.14045 156.7
[M+Na-2H]- 222.10127 147.9
[M]+ 201.12605 141.1
[M]- 201.12715 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