CID 137952144

2219376-38-0

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C12CC(C1)CO2)N
InChI
InChI=1S/C7H13NO/c1-5(8)7-2-6(3-7)4-9-7/h5-6H,2-4,8H2,1H3
InChIKey
QVXDKXKQPXYPFW-UHFFFAOYSA-N
Compound name
1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 132.6
[M+Na]+ 150.08894 137.8
[M-H]- 126.09244 134.0
[M+NH4]+ 145.13354 155.2
[M+K]+ 166.06288 140.7
[M+H-H2O]+ 110.09698 126.0
[M+HCOO]- 172.09792 150.0
[M+CH3COO]- 186.11357 179.0
[M+Na-2H]- 148.07439 140.3
[M]+ 127.09917 143.5
[M]- 127.10027 143.5
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.