CID 132388068

2171804-56-9

Structural Information

Molecular Formula
C10H15N5O
SMILES
CN(C)CC1=C(OC=C1)C2=NNC(=N2)CN
InChI
InChI=1S/C10H15N5O/c1-15(2)6-7-3-4-16-9(7)10-12-8(5-11)13-14-10/h3-4H,5-6,11H2,1-2H3,(H,12,13,14)
InChIKey
PTIKMQACTISTJR-UHFFFAOYSA-N
Compound name
[3-[3-[(dimethylamino)methyl]furan-2-yl]-1H-1,2,4-triazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12766 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13494 148.0
[M+Na]+ 244.11688 156.8
[M-H]- 220.12038 152.3
[M+NH4]+ 239.16148 163.9
[M+K]+ 260.09082 155.4
[M+H-H2O]+ 204.12492 139.1
[M+HCOO]- 266.12586 172.5
[M+CH3COO]- 280.14151 192.6
[M+Na-2H]- 242.10233 151.9
[M]+ 221.12711 150.0
[M]- 221.12821 150.0
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.