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

6
Patents

127.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 131.4
[M+Na]+ 150.088938 136.0
[M-H]- 126.092444 130.9
[M+NH4]+ 145.133543 151.3
[M+K]+ 166.062878 139.0
[M+H-H2O]+ 110.096980 123.0
[M+HCOO]- 172.097921 145.5
[M+CH3COO]- 186.113571 143.2
[M+Na-2H]- 148.074386 144.0
[M]+ 127.09917142 140.7
[M]- 127.10026858 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