CID 16227468

3-(aminomethyl)-6,7-dihydro-5h-pyrrolo[2,1-c][1,2,4]triazole

Structural Information

Molecular Formula
C6H10N4
SMILES
C1CC2=NN=C(N2C1)CN
InChI
InChI=1S/C6H10N4/c7-4-6-9-8-5-2-1-3-10(5)6/h1-4,7H2
InChIKey
URJJLLGHIBAONS-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

138.09055 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.097826 126.9
[M+Na]+ 161.079768 135.9
[M-H]- 137.083274 127.4
[M+NH4]+ 156.124373 148.8
[M+K]+ 177.053708 134.4
[M+H-H2O]+ 121.087810 119.3
[M+HCOO]- 183.088751 149.0
[M+CH3COO]- 197.104401 140.4
[M+Na-2H]- 159.065216 132.2
[M]+ 138.09000142 125.0
[M]- 138.09109858 125.0
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

patents stripe