CID 81488666

1955540-90-5

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1CC1N2C(=NNC2=O)CN
InChI
InChI=1S/C6H10N4O/c7-3-5-8-9-6(11)10(5)4-1-2-4/h4H,1-3,7H2,(H,9,11)
InChIKey
ZPJGIEZTWFCEJF-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 137.1
[M+Na]+ 177.07468 148.5
[M-H]- 153.07818 139.6
[M+NH4]+ 172.11928 150.2
[M+K]+ 193.04862 143.3
[M+H-H2O]+ 137.08272 129.3
[M+HCOO]- 199.08366 159.1
[M+CH3COO]- 213.09931 177.9
[M+Na-2H]- 175.06013 141.5
[M]+ 154.08491 137.1
[M]- 154.08601 137.1
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.