CID 43142833

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

Structural Information

Molecular Formula
C10H18N4
SMILES
C1CCC2=NN=C(N2CC1)CCCN
InChI
InChI=1S/C10H18N4/c11-7-4-6-10-13-12-9-5-2-1-3-8-14(9)10/h1-8,11H2
InChIKey
QPROXFVNYJTCCD-UHFFFAOYSA-N
Compound name
3-(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

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.160426 142.0
[M+Na]+ 217.142368 147.3
[M-H]- 193.145874 142.8
[M+NH4]+ 212.186973 158.5
[M+K]+ 233.116308 147.9
[M+H-H2O]+ 177.150410 132.4
[M+HCOO]- 239.151351 159.9
[M+CH3COO]- 253.167001 152.7
[M+Na-2H]- 215.127816 146.6
[M]+ 194.15260142 136.3
[M]- 194.15369858 136.3
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.