CID 155978212

1-methyl-2-oxabicyclo[3.1.1]heptan-4-amine hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
CC12CC(C1)C(CO2)N
InChI
InChI=1S/C7H13NO/c1-7-2-5(3-7)6(8)4-9-7/h5-6H,2-4,8H2,1H3
InChIKey
VGXUJPLZZFLGKF-UHFFFAOYSA-N
Compound name
1-methyl-2-oxabicyclo[3.1.1]heptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 132.5
[M+Na]+ 150.08894 137.9
[M-H]- 126.09244 132.3
[M+NH4]+ 145.13354 152.7
[M+K]+ 166.06288 140.9
[M+H-H2O]+ 110.09698 124.3
[M+HCOO]- 172.09792 146.5
[M+CH3COO]- 186.11357 144.5
[M+Na-2H]- 148.07439 144.3
[M]+ 127.09917 142.1
[M]- 127.10027 142.1
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.