CID 132261185

2170372-24-2

Structural Information

Molecular Formula
C6H11NO
SMILES
CC12CC(C1)(CO2)N
InChI
InChI=1S/C6H11NO/c1-5-2-6(7,3-5)4-8-5/h2-4,7H2,1H3
InChIKey
AHVAATWZOGWTOX-UHFFFAOYSA-N
Compound name
1-methyl-2-oxabicyclo[2.1.1]hexan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 126.4
[M+Na]+ 136.073278 133.7
[M-H]- 112.076784 128.5
[M+NH4]+ 131.117883 151.7
[M+K]+ 152.047218 135.8
[M+H-H2O]+ 96.081320 120.9
[M+HCOO]- 158.082261 145.3
[M+CH3COO]- 172.097911 140.4
[M+Na-2H]- 134.058726 137.0
[M]+ 113.08351142 138.1
[M]- 113.08460858 138.1
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