CID 155978331

(1r,4r)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C[C@@]12CC[C@@](C1)(CO2)N
InChI
InChI=1S/C7H13NO/c1-6-2-3-7(8,4-6)5-9-6/h2-5,8H2,1H3/t6-,7-/m1/s1
InChIKey
OIQYPAWFNAOGKM-RNFRBKRXSA-N
Compound name
(1R,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine
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 124.8
[M+Na]+ 150.08894 132.8
[M-H]- 126.09244 128.0
[M+NH4]+ 145.13354 153.9
[M+K]+ 166.06288 132.3
[M+H-H2O]+ 110.09698 121.8
[M+HCOO]- 172.09792 146.3
[M+CH3COO]- 186.11357 139.4
[M+Na-2H]- 148.07439 132.9
[M]+ 127.09917 122.8
[M]- 127.10027 122.8
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.