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]+ 216.124376 143.8
[M+Na]+ 238.106318 151.7
[M-H]- 214.109824 146.5
[M+NH4]+ 233.150923 161.5
[M+K]+ 254.080258 147.0
[M+H-H2O]+ 198.114360 135.2
[M+HCOO]- 260.115301 165.4
[M+CH3COO]- 274.130951 155.6
[M+Na-2H]- 236.091766 148.6
[M]+ 215.11655142 139.4
[M]- 215.11764858 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.