CID 43470335

1-{5h,6h,7h,8h,9h-[1,2,4]triazolo[4,3-a]azepin-3-yl}propan-1-amine

Structural Information

Molecular Formula
C10H18N4
SMILES
CCC(C1=NN=C2N1CCCCC2)N
InChI
InChI=1S/C10H18N4/c1-2-8(11)10-13-12-9-6-4-3-5-7-14(9)10/h8H,2-7,11H2,1H3
InChIKey
VYBXHVUUKWBHOU-UHFFFAOYSA-N
Compound name
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.15315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16043 142.1
[M+Na]+ 217.14237 147.2
[M-H]- 193.14587 143.1
[M+NH4]+ 212.18697 158.6
[M+K]+ 233.11631 148.3
[M+H-H2O]+ 177.15041 132.6
[M+HCOO]- 239.15135 159.1
[M+CH3COO]- 253.16700 152.7
[M+Na-2H]- 215.12782 145.6
[M]+ 194.15260 135.8
[M]- 194.15370 135.8
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.