CID 3024564

1-ethyl-5-aminomethyl-4,5,6,7-tetrahydrobenzimidazole dihydrochloride

Structural Information

Molecular Formula
C10H17N3
SMILES
CCN1C=NC2=C1CCC(C2)CN
InChI
InChI=1S/C10H17N3/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13/h7-8H,2-6,11H2,1H3
InChIKey
OEFVPMBICIHIDQ-UHFFFAOYSA-N
Compound name
(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.14224 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.14952 141.0
[M+Na]+ 202.13146 148.4
[M-H]- 178.13496 142.0
[M+NH4]+ 197.17606 161.1
[M+K]+ 218.10540 145.4
[M+H-H2O]+ 162.13950 133.7
[M+HCOO]- 224.14044 160.8
[M+CH3COO]- 238.15609 184.2
[M+Na-2H]- 200.11691 145.2
[M]+ 179.14169 138.0
[M]- 179.14279 138.0
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

patents stripe