CID 155924

4,5,6,7-tetrahydro-1h-1,3-benzodiazol-5-amine

Structural Information

Molecular Formula
C7H11N3
SMILES
C1CC2=C(CC1N)NC=N2
InChI
InChI=1S/C7H11N3/c8-5-1-2-6-7(3-5)10-4-9-6/h4-5H,1-3,8H2,(H,9,10)
InChIKey
XPJLVDOGXOROPC-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

137.09529 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 127.3
[M+Na]+ 160.084508 134.7
[M-H]- 136.088014 127.1
[M+NH4]+ 155.129113 148.0
[M+K]+ 176.058448 131.6
[M+H-H2O]+ 120.092550 120.6
[M+HCOO]- 182.093491 146.7
[M+CH3COO]- 196.109141 139.8
[M+Na-2H]- 158.069956 133.4
[M]+ 137.09474142 121.1
[M]- 137.09583858 121.1
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