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

52
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]+ 120.04198 129.0
[M-H]- 96.045489 119.0
[M+NH4]+ 115.08659 131.4
[M+K]+ 136.01592 124.3
[M+H-H2O]+ 80.050025 104.8
[M+HCOO]- 142.05097 135.0
[M+CH3COO]- 156.06662 181.6
[M+Na-2H]- 118.02743 122.1
[M]+ 97.052216 112.2
[M]- 97.053314 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