CID 137943791

[1-(aminomethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]methanol

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC2(CC1(CO2)CO)CN
InChI
InChI=1S/C8H15NO2/c9-4-8-2-1-7(3-8,5-10)6-11-8/h10H,1-6,9H2
InChIKey
QNSTZPWYHFBSMA-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 132.7
[M+Na]+ 180.09950 139.8
[M-H]- 156.10300 134.3
[M+NH4]+ 175.14410 159.9
[M+K]+ 196.07344 138.6
[M+H-H2O]+ 140.10754 129.8
[M+HCOO]- 202.10848 152.6
[M+CH3COO]- 216.12413 173.5
[M+Na-2H]- 178.08495 140.1
[M]+ 157.10973 130.7
[M]- 157.11083 130.7
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

No patent data available for this compound.