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]+ 155.092736 137.1
[M+Na]+ 177.074678 148.5
[M-H]- 153.078184 139.6
[M+NH4]+ 172.119283 150.2
[M+K]+ 193.048618 143.3
[M+H-H2O]+ 137.082720 129.3
[M+HCOO]- 199.083661 159.1
[M+CH3COO]- 213.099311 177.9
[M+Na-2H]- 175.060126 141.5
[M]+ 154.08491142 137.1
[M]- 154.08600858 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.