CID 66971

Cyclotrimethylenetriamine

Structural Information

Molecular Formula
C3H9N3
SMILES
C1NCNCN1
InChI
InChI=1S/C3H9N3/c1-4-2-6-3-5-1/h4-6H,1-3H2
InChIKey
LKLLNYWECKEQIB-UHFFFAOYSA-N
Compound name
1,3,5-triazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

14252
Patents

87.07965 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.086926 119.6
[M+Na]+ 110.06887 124.3
[M-H]- 86.072374 113.9
[M+NH4]+ 105.11347 136.5
[M+K]+ 126.04281 121.6
[M+H-H2O]+ 70.076910 112.6
[M+HCOO]- 132.07785 133.2
[M+CH3COO]- 146.09350 153.7
[M+Na-2H]- 108.05432 127.0
[M]+ 87.079101 108.5
[M]- 87.080199 108.5
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.