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]+ 181.144776 142.3
[M+Na]+ 203.126718 149.4
[M-H]- 179.130224 142.6
[M+NH4]+ 198.171323 162.4
[M+K]+ 219.100658 148.1
[M+H-H2O]+ 163.134760 134.5
[M+HCOO]- 225.135701 161.4
[M+CH3COO]- 239.151351 184.7
[M+Na-2H]- 201.112166 143.7
[M]+ 180.13695142 140.2
[M]- 180.13804858 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.