CID 81937555

1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1h-1,3-benzodiazole dihydrochloride

Structural Information

Molecular Formula
C11H17N3
SMILES
C1CCC2=C(C1)N=CN2C3CCNC3
InChI
InChI=1S/C11H17N3/c1-2-4-11-10(3-1)13-8-14(11)9-5-6-12-7-9/h8-9,12H,1-7H2
InChIKey
YUUVYQJTJZIXAA-UHFFFAOYSA-N
Compound name
1-pyrrolidin-3-yl-4,5,6,7-tetrahydrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.14224 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.149516 144.8
[M+Na]+ 214.131458 150.3
[M-H]- 190.134964 146.1
[M+NH4]+ 209.176063 163.6
[M+K]+ 230.105398 146.8
[M+H-H2O]+ 174.139500 136.1
[M+HCOO]- 236.140441 160.4
[M+CH3COO]- 250.156091 155.5
[M+Na-2H]- 212.116906 146.1
[M]+ 191.14169142 137.6
[M]- 191.14278858 137.6
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.