CID 122163384

5-methyl-5h,6h,7h-pyrrolo[1,2-b][1,2,4]triazol-7-amine

Structural Information

Molecular Formula
C6H10N4
SMILES
CC1CC(C2=NC=NN12)N
InChI
InChI=1S/C6H10N4/c1-4-2-5(7)6-8-3-9-10(4)6/h3-5H,2,7H2,1H3
InChIKey
FIWJTQJPZSXNQQ-UHFFFAOYSA-N
Compound name
5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.09055 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 127.5
[M+Na]+ 161.07977 137.4
[M-H]- 137.08327 128.3
[M+NH4]+ 156.12437 149.6
[M+K]+ 177.05371 135.8
[M+H-H2O]+ 121.08781 120.3
[M+HCOO]- 183.08875 149.5
[M+CH3COO]- 197.10440 141.3
[M+Na-2H]- 159.06522 132.0
[M]+ 138.09000 125.9
[M]- 138.09110 125.9
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

No patent data available for this compound.