CID 71042775

1596117-29-1

Structural Information

Molecular Formula
C10H11N5
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C10H11N5/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9/h2-5H,6,11H2,1H3
InChIKey
ZWKQKWLZKSZYAT-UHFFFAOYSA-N
Compound name
[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

201.10144 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 145.8
[M+Na]+ 224.09066 155.5
[M-H]- 200.09416 147.1
[M+NH4]+ 219.13526 159.1
[M+K]+ 240.06460 150.8
[M+H-H2O]+ 184.09870 135.9
[M+HCOO]- 246.09964 166.5
[M+CH3COO]- 260.11529 157.6
[M+Na-2H]- 222.07611 154.2
[M]+ 201.10089 144.6
[M]- 201.10199 144.6
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