CID 165880664

[1-(aminomethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]methanol

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1C2(CC(C2)(O1)CN)CO
InChI
InChI=1S/C8H15NO2/c1-6-7(5-10)2-8(3-7,4-9)11-6/h6,10H,2-5,9H2,1H3
InChIKey
SCENUFJTUZNKFB-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-3-methyl-2-oxabicyclo[2.1.1]hexan-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 140.0
[M+Na]+ 180.09950 146.5
[M-H]- 156.10300 140.5
[M+NH4]+ 175.14410 163.1
[M+K]+ 196.07344 147.8
[M+H-H2O]+ 140.10754 134.6
[M+HCOO]- 202.10848 156.7
[M+CH3COO]- 216.12413 181.4
[M+Na-2H]- 178.08495 148.7
[M]+ 157.10973 152.3
[M]- 157.11083 152.3
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.