CID 3579815

1h-indole-3-carboximidamide hydrochloride

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=N)N
InChI
InChI=1S/C9H9N3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H,(H3,10,11)
InChIKey
JJURUVSVHQHERL-UHFFFAOYSA-N
Compound name
1H-indole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

159.07965 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 130.1
[M+Na]+ 182.06887 138.8
[M-H]- 158.07237 132.3
[M+NH4]+ 177.11347 151.1
[M+K]+ 198.04281 134.5
[M+H-H2O]+ 142.07691 123.9
[M+HCOO]- 204.07785 154.7
[M+CH3COO]- 218.09350 143.6
[M+Na-2H]- 180.05432 137.6
[M]+ 159.07910 126.4
[M]- 159.08020 126.4
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