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]+ 139.097826 125.8
[M+Na]+ 161.079768 132.7
[M-H]- 137.083274 128.1
[M+NH4]+ 156.124373 138.2
[M+K]+ 177.053708 134.1
[M+H-H2O]+ 121.087810 112.4
[M+HCOO]- 183.088751 146.7
[M+CH3COO]- 197.104401 177.6
[M+Na-2H]- 159.065216 131.2
[M]+ 138.09000142 131.3
[M]- 138.09109858 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.