CID 61686123

1249819-17-7

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=NC2=CC=CC=C2N1CC3CCCN3
InChI
InChI=1S/C13H17N3/c1-10-15-12-6-2-3-7-13(12)16(10)9-11-5-4-8-14-11/h2-3,6-7,11,14H,4-5,8-9H2,1H3
InChIKey
JTIXTBNEEVXQSA-UHFFFAOYSA-N
Compound name
2-methyl-1-(pyrrolidin-2-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 149.1
[M+Na]+ 238.131458 157.9
[M-H]- 214.134964 151.8
[M+NH4]+ 233.176063 167.7
[M+K]+ 254.105398 153.1
[M+H-H2O]+ 198.139500 140.7
[M+HCOO]- 260.140441 168.4
[M+CH3COO]- 274.156091 161.1
[M+Na-2H]- 236.116906 151.9
[M]+ 215.14169142 147.4
[M]- 215.14278858 147.4
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.