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 137.9
[M+Na]+ 150.10017 150.0
[M-H]- 126.10367 138.4
[M+NH4]+ 145.14477 154.1
[M+K]+ 166.07411 145.6
[M+H-H2O]+ 110.10821 131.1
[M+HCOO]- 172.10915 155.6
[M+CH3COO]- 186.12480 176.0
[M+Na-2H]- 148.08562 141.4
[M]+ 127.11040 139.0
[M]- 127.11150 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.