CID 63278631

1-[(4-fluorophenyl)methyl]-3-methyl-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C10H11FN4
SMILES
CC1=NN(C(=N1)N)CC2=CC=C(C=C2)F
InChI
InChI=1S/C10H11FN4/c1-7-13-10(12)15(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H2,12,13,14)
InChIKey
OBHBNEHOOFEUNX-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09677 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.104046 143.2
[M+Na]+ 229.085988 153.6
[M-H]- 205.089494 145.1
[M+NH4]+ 224.130593 159.9
[M+K]+ 245.059928 149.4
[M+H-H2O]+ 189.094030 133.6
[M+HCOO]- 251.094971 165.1
[M+CH3COO]- 265.110621 155.9
[M+Na-2H]- 227.071436 147.5
[M]+ 206.09622142 141.7
[M]- 206.09731858 141.7
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.