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]+ 139.097826 127.5
[M+Na]+ 161.079768 137.4
[M-H]- 137.083274 128.3
[M+NH4]+ 156.124373 149.6
[M+K]+ 177.053708 135.8
[M+H-H2O]+ 121.087810 120.3
[M+HCOO]- 183.088751 149.5
[M+CH3COO]- 197.104401 141.3
[M+Na-2H]- 159.065216 132.0
[M]+ 138.09000142 125.9
[M]- 138.09109858 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.