CID 79542224

1798728-30-9

Structural Information

Molecular Formula
C11H13FN4
SMILES
CCC1=C(N=NN1CC2=CC=C(C=C2)F)N
InChI
InChI=1S/C11H13FN4/c1-2-10-11(13)14-15-16(10)7-8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3
InChIKey
JPWABNTZRKEQPZ-UHFFFAOYSA-N
Compound name
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.11243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11971 147.7
[M+Na]+ 243.10165 157.7
[M-H]- 219.10515 149.5
[M+NH4]+ 238.14625 163.8
[M+K]+ 259.07559 153.2
[M+H-H2O]+ 203.10969 137.9
[M+HCOO]- 265.11063 169.3
[M+CH3COO]- 279.12628 191.4
[M+Na-2H]- 241.08710 151.5
[M]+ 220.11188 146.5
[M]- 220.11298 146.5
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.