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]+ 216.14952 149.1
[M+Na]+ 238.13146 157.9
[M-H]- 214.13496 151.8
[M+NH4]+ 233.17606 167.7
[M+K]+ 254.10540 153.1
[M+H-H2O]+ 198.13950 140.7
[M+HCOO]- 260.14044 168.4
[M+CH3COO]- 274.15609 161.1
[M+Na-2H]- 236.11691 151.9
[M]+ 215.14169 147.4
[M]- 215.14279 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.