CID 67050751

2839156-68-0

Structural Information

Molecular Formula

C₄H₁₀N₂O

SMILES

C1C(CN1)(CO)N

InChI

InChI=1S/C4H10N2O/c5-4(3-7)1-6-2-4/h6-7H,1-3,5H2

InChIKey

LPNBQFJEVNTYOC-UHFFFAOYSA-N

Compound name

(3-aminoazetidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 102.079315 Da
Monoisotopic Mass: -2.2
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]+	103.086591	122.9
[M+Na]+	125.068533	128.3
[M-H]-	101.072039	122.1
[M+NH4]+	120.113138	138.1
[M+K]+	141.042473	129.8
[M+H-H2O]+	85.076575	113.3
[M+HCOO]-	147.077516	141.8
[M+CH3COO]-	161.093166	166.1
[M+Na-2H]-	123.053981	129.6
[M]+	102.07876642	125.9
[M]-	102.07986358	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe