CID 132260739

{4-amino-2-oxabicyclo[2.1.1]hexan-1-yl}methanol

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1C2(CC1(OC2)CO)N
InChI
InChI=1S/C6H11NO2/c7-5-1-6(2-5,3-8)9-4-5/h8H,1-4,7H2
InChIKey
KRKBZBROOKOGQF-UHFFFAOYSA-N
Compound name
(4-amino-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

129.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 130.2
[M+Na]+ 152.06820 136.7
[M-H]- 128.07170 130.7
[M+NH4]+ 147.11280 154.0
[M+K]+ 168.04214 138.6
[M+H-H2O]+ 112.07624 124.7
[M+HCOO]- 174.07718 147.6
[M+CH3COO]- 188.09283 174.6
[M+Na-2H]- 150.05365 140.5
[M]+ 129.07843 141.5
[M]- 129.07953 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe