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

32
Patents

137.09529 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 127.3
[M+Na]+ 160.08451 134.7
[M-H]- 136.08801 127.1
[M+NH4]+ 155.12911 148.0
[M+K]+ 176.05845 131.6
[M+H-H2O]+ 120.09255 120.6
[M+HCOO]- 182.09349 146.7
[M+CH3COO]- 196.10914 139.8
[M+Na-2H]- 158.06996 133.4
[M]+ 137.09474 121.1
[M]- 137.09584 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