CID 136575764

N3-(2,3-dihydro-1h-inden-1-yl)-4h-1,2,4-triazole-3,5-diamine

Structural Information

Molecular Formula
C11H13N5
SMILES
C1CC2=CC=CC=C2C1NC3=NNC(=N3)N
InChI
InChI=1S/C11H13N5/c12-10-14-11(16-15-10)13-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H4,12,13,14,15,16)
InChIKey
APJJLSBPQBRFBS-UHFFFAOYSA-N
Compound name
3-N-(2,3-dihydro-1H-inden-1-yl)-1H-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12438 145.6
[M+Na]+ 238.10632 155.8
[M+NH4]+ 233.15092 153.3
[M+K]+ 254.08026 154.0
[M-H]- 214.10982 148.3
[M+Na-2H]- 236.09177 151.6
[M]+ 215.11655 147.4
[M]- 215.11765 147.4
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

No patent data available for this compound.