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

14150
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

literature stripe

Patent stripe

patents stripe