CID 138987599

2167179-42-0

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C2CC1(OC2)CCN
InChI
InChI=1S/C7H13NO/c8-2-1-7-3-6(4-7)5-9-7/h6H,1-5,8H2
InChIKey
GRNSLILJGRTXOD-UHFFFAOYSA-N
Compound name
2-(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

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 129.2
[M+Na]+ 150.08894 134.9
[M-H]- 126.09244 130.6
[M+NH4]+ 145.13354 152.0
[M+K]+ 166.06288 137.3
[M+H-H2O]+ 110.09698 122.7
[M+HCOO]- 172.09792 147.8
[M+CH3COO]- 186.11357 178.2
[M+Na-2H]- 148.07439 138.4
[M]+ 127.09917 140.9
[M]- 127.10027 140.9
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.