CID 62268416

2137579-11-2

Structural Information

Molecular Formula
C6H10N4
SMILES
C1C(CC1N2C=NN=C2)N
InChI
InChI=1S/C6H10N4/c7-5-1-6(2-5)10-3-8-9-4-10/h3-6H,1-2,7H2
InChIKey
LAKBSQAKEVSHRP-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-4-yl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.09055 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 125.8
[M+Na]+ 161.07977 132.7
[M-H]- 137.08327 128.1
[M+NH4]+ 156.12437 138.2
[M+K]+ 177.05371 134.1
[M+H-H2O]+ 121.08781 112.4
[M+HCOO]- 183.08875 146.7
[M+CH3COO]- 197.10440 177.6
[M+Na-2H]- 159.06522 131.2
[M]+ 138.09000 131.3
[M]- 138.09110 131.3
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.