CID 137944243

2287275-01-6

Structural Information

Molecular Formula
C7H13NO
SMILES
CC12CC(C1)(CO2)CN
InChI
InChI=1S/C7H13NO/c1-6-2-7(3-6,4-8)5-9-6/h2-5,8H2,1H3
InChIKey
RGYYYSXDSXEOKX-UHFFFAOYSA-N
Compound name
(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 131.2
[M+Na]+ 150.088938 138.0
[M-H]- 126.092444 133.1
[M+NH4]+ 145.133543 156.0
[M+K]+ 166.062878 139.9
[M+H-H2O]+ 110.096980 125.5
[M+HCOO]- 172.097921 149.7
[M+CH3COO]- 186.113571 144.8
[M+Na-2H]- 148.074386 141.2
[M]+ 127.09917142 143.2
[M]- 127.10026858 143.2
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