CID 137963880

2225144-35-2

Structural Information

Molecular Formula
C7H13NO
SMILES
C1COC2(CC1C2)CN
InChI
InChI=1S/C7H13NO/c8-5-7-3-6(4-7)1-2-9-7/h6H,1-5,8H2
InChIKey
YXQQMGSRJYROKV-UHFFFAOYSA-N
Compound name
2-oxabicyclo[3.1.1]heptan-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 131.4
[M+Na]+ 150.08894 136.0
[M-H]- 126.09244 130.9
[M+NH4]+ 145.13354 151.3
[M+K]+ 166.06288 139.0
[M+H-H2O]+ 110.09698 123.0
[M+HCOO]- 172.09792 145.5
[M+CH3COO]- 186.11357 143.2
[M+Na-2H]- 148.07439 144.0
[M]+ 127.09917 140.7
[M]- 127.10027 140.7
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

patents stripe