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]+ 128.118226 137.9
[M+Na]+ 150.100168 150.0
[M-H]- 126.103674 138.4
[M+NH4]+ 145.144773 154.1
[M+K]+ 166.074108 145.6
[M+H-H2O]+ 110.108210 131.1
[M+HCOO]- 172.109151 155.6
[M+CH3COO]- 186.124801 176.0
[M+Na-2H]- 148.085616 141.4
[M]+ 127.11040142 139.0
[M]- 127.11149858 139.0
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.