CID 154853019

2385260-81-9

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1CC2(CC1(CO2)N)CO

InChI

InChI=1S/C7H13NO2/c8-6-1-2-7(3-6,4-9)10-5-6/h9H,1-5,8H2

InChIKey

ICWZPFAWMWQECW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 143.09464 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	144.101916	128.1
[M+Na]+	166.083858	135.7
[M-H]-	142.087364	129.9
[M+NH4]+	161.128463	155.9
[M+K]+	182.057798	134.7
[M+H-H2O]+	126.091900	125.4
[M+HCOO]-	188.092841	148.4
[M+CH3COO]-	202.108491	170.5
[M+Na-2H]-	164.069306	136.1
[M]+	143.09409142	125.9
[M]-	143.09518858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe