CID 5339661

32787-77-2

Structural Information

Molecular Formula
C12H14N4
SMILES
CC(C)C1=CC=C(C=C1)/C=N/N2C=NN=C2
InChI
InChI=1S/C12H14N4/c1-10(2)12-5-3-11(4-6-12)7-15-16-8-13-14-9-16/h3-10H,1-2H3/b15-7+
InChIKey
MHZVCDJGINXKCH-VIZOYTHASA-N
Compound name
(E)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

214.12184 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12912 148.5
[M+Na]+ 237.11106 161.4
[M+NH4]+ 232.15566 156.0
[M+K]+ 253.08500 156.3
[M-H]- 213.11456 151.4
[M+Na-2H]- 235.09651 157.1
[M]+ 214.12129 151.0
[M]- 214.12239 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe