CID 145909966

2408970-29-4

Structural Information

Molecular Formula
C7H12N4
SMILES
C1C(CC1N2C=NC=N2)CN
InChI
InChI=1S/C7H12N4/c8-3-6-1-7(2-6)11-5-9-4-10-11/h4-7H,1-3,8H2
InChIKey
PWQFWTMOGJDMLO-UHFFFAOYSA-N
Compound name
[3-(1,2,4-triazol-1-yl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 130.4
[M+Na]+ 175.09542 136.8
[M-H]- 151.09892 132.5
[M+NH4]+ 170.14002 142.2
[M+K]+ 191.06936 137.9
[M+H-H2O]+ 135.10346 116.8
[M+HCOO]- 197.10440 150.9
[M+CH3COO]- 211.12005 180.5
[M+Na-2H]- 173.08087 135.2
[M]+ 152.10565 136.2
[M]- 152.10675 136.2
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.