CID 83382852

2230798-85-1

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C2=C(CCCC2)N=C1N
InChI
InChI=1S/C8H13N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H2,1H3,(H2,9,10)
InChIKey
RWDCZASGZPRKGX-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 131.9
[M+Na]+ 174.100168 140.2
[M-H]- 150.103674 133.3
[M+NH4]+ 169.144773 153.1
[M+K]+ 190.074108 137.7
[M+H-H2O]+ 134.108210 125.0
[M+HCOO]- 196.109151 152.4
[M+CH3COO]- 210.124801 144.9
[M+Na-2H]- 172.085616 137.1
[M]+ 151.11040142 128.2
[M]- 151.11149858 128.2
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.