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

12
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 131.2
[M+Na]+ 150.08894 138.0
[M-H]- 126.09244 133.1
[M+NH4]+ 145.13354 156.0
[M+K]+ 166.06288 139.9
[M+H-H2O]+ 110.09698 125.5
[M+HCOO]- 172.09792 149.7
[M+CH3COO]- 186.11357 144.8
[M+Na-2H]- 148.07439 141.2
[M]+ 127.09917 143.2
[M]- 127.10027 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