CID 81937502

1798745-74-0

Structural Information

Molecular Formula
C12H19N3
SMILES
CC1=NC2=C(N1C3CCNC3)CCCC2
InChI
InChI=1S/C12H19N3/c1-9-14-11-4-2-3-5-12(11)15(9)10-6-7-13-8-10/h10,13H,2-8H2,1H3
InChIKey
UUPMBIKPSSWRNM-UHFFFAOYSA-N
Compound name
2-methyl-1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 149.8
[M+Na]+ 228.147118 155.8
[M-H]- 204.150624 151.4
[M+NH4]+ 223.191723 168.4
[M+K]+ 244.121058 151.9
[M+H-H2O]+ 188.155160 141.3
[M+HCOO]- 250.156101 165.0
[M+CH3COO]- 264.171751 160.4
[M+Na-2H]- 226.132566 149.9
[M]+ 205.15735142 143.3
[M]- 205.15844858 143.3
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.