CID 58661804

Schembl19153182

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

CC1=CN2C=CC=C2N=N1

InChI

InChI=1S/C7H7N3/c1-6-5-10-4-2-3-7(10)9-8-6/h2-5H,1H3

InChIKey

HSNADAQXGQFCHK-UHFFFAOYSA-N

Compound name

3-methylpyrrolo[2,1-c][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 133.064 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.07128	123.3
[M+Na]+	156.05322	138.3
[M+NH4]+	151.09782	132.4
[M+K]+	172.02716	133.2
[M-H]-	132.05672	124.6
[M+Na-2H]-	154.03867	131.5
[M]+	133.06345	125.8
[M]-	133.06455	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe