CID 43142798

1094444-89-9

Structural Information

Molecular Formula
C9H16N4
SMILES
CC(C)C(C1=NN=C2N1CCC2)N
InChI
InChI=1S/C9H16N4/c1-6(2)8(10)9-12-11-7-4-3-5-13(7)9/h6,8H,3-5,10H2,1-2H3
InChIKey
DVVZQDQWNMAEIH-UHFFFAOYSA-N
Compound name
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 142.3
[M+Na]+ 203.12672 149.4
[M-H]- 179.13022 142.6
[M+NH4]+ 198.17132 162.4
[M+K]+ 219.10066 148.1
[M+H-H2O]+ 163.13476 134.5
[M+HCOO]- 225.13570 161.4
[M+CH3COO]- 239.15135 184.7
[M+Na-2H]- 201.11217 143.7
[M]+ 180.13695 140.2
[M]- 180.13805 140.2
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.