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 143.8
[M+Na]+ 238.10632 151.7
[M-H]- 214.10982 146.5
[M+NH4]+ 233.15092 161.5
[M+K]+ 254.08026 147.0
[M+H-H2O]+ 198.11436 135.2
[M+HCOO]- 260.11530 165.4
[M+CH3COO]- 274.13095 155.6
[M+Na-2H]- 236.09177 148.6
[M]+ 215.11655 139.4
[M]- 215.11765 139.4
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.