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]+ 192.14952 144.8
[M+Na]+ 214.13146 150.3
[M-H]- 190.13496 146.1
[M+NH4]+ 209.17606 163.6
[M+K]+ 230.10540 146.8
[M+H-H2O]+ 174.13950 136.1
[M+HCOO]- 236.14044 160.4
[M+CH3COO]- 250.15609 155.5
[M+Na-2H]- 212.11691 146.1
[M]+ 191.14169 137.6
[M]- 191.14279 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.