CID 66442627

2091597-42-9

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CC1C2=C(C=NN2)CO

InChI

InChI=1S/C7H10N2O/c10-4-6-3-8-9-7(6)5-1-2-5/h3,5,10H,1-2,4H2,(H,8,9)

InChIKey

NNBZLFLNYQCIPN-UHFFFAOYSA-N

Compound name

(5-cyclopropyl-1H-pyrazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 138.07932 Da
Monoisotopic Mass: -0.1
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]+	139.086596	130.2
[M+Na]+	161.068538	140.5
[M-H]-	137.072044	132.8
[M+NH4]+	156.113143	145.0
[M+K]+	177.042478	136.1
[M+H-H2O]+	121.076580	123.3
[M+HCOO]-	183.077521	151.2
[M+CH3COO]-	197.093171	171.1
[M+Na-2H]-	159.053986	135.5
[M]+	138.07877142	130.3
[M]-	138.07986858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe