CID 45092473

159172-92-6

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1([C@@H]2[C@H]1C(=O)NC2)C
InChI
InChI=1S/C7H11NO/c1-7(2)4-3-8-6(9)5(4)7/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey
NOEANOXILSYOIN-WHFBIAKZSA-N
Compound name
(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

125.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 128.4
[M+Na]+ 148.073278 140.1
[M-H]- 124.076784 131.8
[M+NH4]+ 143.117883 148.9
[M+K]+ 164.047218 136.9
[M+H-H2O]+ 108.081320 124.3
[M+HCOO]- 170.082261 148.4
[M+CH3COO]- 184.097911 172.9
[M+Na-2H]- 146.058726 134.3
[M]+ 125.08351142 129.8
[M]- 125.08460858 129.8
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

patents stripe