CID 15920959

2-(hydroxymethyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C5H7NO
SMILES
C1C(C1C#N)CO
InChI
InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h4-5,7H,1,3H2
InChIKey
YRFBEHLXLHSHMV-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

97.052765 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 113.2
[M+Na]+ 120.041983 129.0
[M-H]- 96.045489 119.0
[M+NH4]+ 115.086588 131.4
[M+K]+ 136.015923 124.3
[M+H-H2O]+ 80.050025 104.8
[M+HCOO]- 142.050966 135.0
[M+CH3COO]- 156.066616 181.6
[M+Na-2H]- 118.027431 122.1
[M]+ 97.05221642 112.2
[M]- 97.05331358 112.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe