CID 60145307

1380500-88-8

Structural Information

Molecular Formula
C11H10N4O2
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C11H10N4O2/c1-7-12-14-11(15-13-7)9-4-2-8(3-5-9)6-10(16)17/h2-5H,6H2,1H3,(H,16,17)
InChIKey
TZNOWMYISKGWCY-UHFFFAOYSA-N
Compound name
2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

230.08037 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.087646 151.3
[M+Na]+ 253.069588 160.6
[M-H]- 229.073094 151.7
[M+NH4]+ 248.114193 162.8
[M+K]+ 269.043528 156.3
[M+H-H2O]+ 213.077630 141.4
[M+HCOO]- 275.078571 169.2
[M+CH3COO]- 289.094221 188.1
[M+Na-2H]- 251.055036 157.9
[M]+ 230.07982142 151.6
[M]- 230.08091858 151.6
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