CID 121553712

1909293-53-3

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

CN1C=C(C=N1)[C@H]2[C@@H](CCO2)N

InChI

InChI=1S/C8H13N3O/c1-11-5-6(4-10-11)8-7(9)2-3-12-8/h4-5,7-8H,2-3,9H2,1H3/t7-,8+/m1/s1

InChIKey

JWHDQIBDWOXMLS-SFYZADRCSA-N

Compound name

(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.10587 Da
Monoisotopic Mass: -0.8
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]+	168.113146	134.9
[M+Na]+	190.095088	142.8
[M-H]-	166.098594	139.5
[M+NH4]+	185.139693	154.5
[M+K]+	206.069028	142.2
[M+H-H2O]+	150.103130	127.7
[M+HCOO]-	212.104071	157.0
[M+CH3COO]-	226.119721	178.8
[M+Na-2H]-	188.080536	137.7
[M]+	167.10532142	132.7
[M]-	167.10641858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe