CID 4962205

848068-69-9

Structural Information

Molecular Formula
C10H12N4
SMILES
CC(C1=CC=C(C=C1)N2C=NC=N2)N
InChI
InChI=1S/C10H12N4/c1-8(11)9-2-4-10(5-3-9)14-7-12-6-13-14/h2-8H,11H2,1H3
InChIKey
LWCNLFHKRQJWOW-UHFFFAOYSA-N
Compound name
1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

188.1062 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11348 140.5
[M+Na]+ 211.09542 148.7
[M-H]- 187.09892 143.2
[M+NH4]+ 206.14002 157.2
[M+K]+ 227.06936 145.5
[M+H-H2O]+ 171.10346 131.4
[M+HCOO]- 233.10440 162.5
[M+CH3COO]- 247.12005 153.0
[M+Na-2H]- 209.08087 145.7
[M]+ 188.10565 138.6
[M]- 188.10675 138.6
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

patents stripe