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]+ 222.134936 148.0
[M+Na]+ 244.116878 156.8
[M-H]- 220.120384 152.3
[M+NH4]+ 239.161483 163.9
[M+K]+ 260.090818 155.4
[M+H-H2O]+ 204.124920 139.1
[M+HCOO]- 266.125861 172.5
[M+CH3COO]- 280.141511 192.6
[M+Na-2H]- 242.102326 151.9
[M]+ 221.12711142 150.0
[M]- 221.12820858 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.