CID 154703349

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

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1C2(CC1(OC2)CO)CN
InChI
InChI=1S/C7H13NO2/c8-3-6-1-7(2-6,4-9)10-5-6/h9H,1-5,8H2
InChIKey
SVGDSZWRQRWNGS-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

143.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 134.9
[M+Na]+ 166.08386 141.0
[M-H]- 142.08736 135.3
[M+NH4]+ 161.12846 158.2
[M+K]+ 182.05780 142.6
[M+H-H2O]+ 126.09190 129.2
[M+HCOO]- 188.09284 152.0
[M+CH3COO]- 202.10849 177.5
[M+Na-2H]- 164.06931 144.7
[M]+ 143.09409 146.6
[M]- 143.09519 146.6
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