CID 3038684

2-alpha,4-beta,6-alpha-trimethyl-1,3,5-triazabicyclo(3.1.0)hexane

Structural Information

Molecular Formula
C6H13N3
SMILES
C[C@@H]1N[C@H](N2N1C2C)C
InChI
InChI=1S/C6H13N3/c1-4-7-5(2)9-6(3)8(4)9/h4-7H,1-3H3/t4-,5-,6?,8?,9?/m1/s1
InChIKey
RTZLTXRMHPWODA-BCVWCTNASA-N
Compound name
(2R,4R)-2,4,6-trimethyl-1,3,5-triazabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.11823 128.4
[M+Na]+ 150.10017 140.7
[M+NH4]+ 145.14477 137.0
[M+K]+ 166.07411 138.7
[M-H]- 126.10367 134.7
[M+Na-2H]- 148.08562 133.6
[M]+ 127.11040 132.8
[M]- 127.11150 132.8
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.