CID 138039604

2241142-25-4

Structural Information

Molecular Formula

C₇H₉BrN₂O

SMILES

C1CC1(CO)N2C=C(C=N2)Br

InChI

InChI=1S/C7H9BrN2O/c8-6-3-9-10(4-6)7(5-11)1-2-7/h3-4,11H,1-2,5H2

InChIKey

UCIBJNSKKIUIRM-UHFFFAOYSA-N

Compound name

[1-(4-bromopyrazol-1-yl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 215.98982 Da
Monoisotopic Mass: 0.5
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]+	216.99710	139.4
[M+Na]+	238.97904	143.3
[M+NH4]+	234.02364	145.5
[M+K]+	254.95298	144.8
[M-H]-	214.98254	145.2
[M+Na-2H]-	236.96449	145.9
[M]+	215.98927	141.5
[M]-	215.99037	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe