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]+ 195.16043 142.0
[M+Na]+ 217.14237 147.3
[M-H]- 193.14587 142.8
[M+NH4]+ 212.18697 158.5
[M+K]+ 233.11631 147.9
[M+H-H2O]+ 177.15041 132.4
[M+HCOO]- 239.15135 159.9
[M+CH3COO]- 253.16700 152.7
[M+Na-2H]- 215.12782 146.6
[M]+ 194.15260 136.3
[M]- 194.15370 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.