CID 137946062

2287248-96-6

Structural Information

Molecular Formula
C6H10N2O
SMILES
CN1[C@@H]2C[C@@H]2NCC1=O
InChI
InChI=1S/C6H10N2O/c1-8-5-2-4(5)7-3-6(8)9/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1
InChIKey
IKSTXALZXPOIQI-CRCLSJGQSA-N
Compound name
(1R,6S)-2-methyl-2,5-diazabicyclo[4.1.0]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.079315 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 133.7
[M+Na]+ 149.06853 144.2
[M-H]- 125.07204 135.1
[M+NH4]+ 144.11314 149.1
[M+K]+ 165.04247 140.4
[M+H-H2O]+ 109.07658 127.1
[M+HCOO]- 171.07752 151.3
[M+CH3COO]- 185.09317 173.4
[M+Na-2H]- 147.05398 139.8
[M]+ 126.07877 132.7
[M]- 126.07986 132.7
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.