CID 63926980

1343401-04-6

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CC2=C(C1)N=C(N2)CO

InChI

InChI=1S/C7H10N2O/c10-4-7-8-5-2-1-3-6(5)9-7/h10H,1-4H2,(H,8,9)

InChIKey

DVRWQPRDZZHLFW-UHFFFAOYSA-N

Compound name

1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	128.3
[M+Na]+	161.068538	136.8
[M-H]-	137.072044	127.7
[M+NH4]+	156.113143	150.6
[M+K]+	177.042478	134.1
[M+H-H2O]+	121.076580	122.4
[M+HCOO]-	183.077521	148.1
[M+CH3COO]-	197.093171	141.4
[M+Na-2H]-	159.053986	132.8
[M]+	138.07877142	125.5
[M]-	138.07986858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.