CID 13399

1h-indazol-3-amine

Structural Information

Molecular Formula
C7H7N3
SMILES
C1=CC=C2C(=C1)C(=NN2)N
InChI
InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
InChIKey
YDTDKKULPWTHRV-UHFFFAOYSA-N
Compound name
1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

3909
Patents

133.064 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 122.5
[M+Na]+ 156.05322 133.0
[M-H]- 132.05672 123.5
[M+NH4]+ 151.09782 143.7
[M+K]+ 172.02716 129.2
[M+H-H2O]+ 116.06126 116.0
[M+HCOO]- 178.06220 146.3
[M+CH3COO]- 192.07785 136.7
[M+Na-2H]- 154.03867 131.8
[M]+ 133.06345 120.6
[M]- 133.06455 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe