CID 22028207

98730-77-9

Structural Information

Molecular Formula
C5H7NO
SMILES
C1CC1(CO)C#N
InChI
InChI=1S/C5H7NO/c6-3-5(4-7)1-2-5/h7H,1-2,4H2
InChIKey
QMCQBAJOOAMKBX-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

645
Patents

97.052765 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 115.3
[M+Na]+ 120.041983 131.2
[M-H]- 96.045489 121.3
[M+NH4]+ 115.086588 135.0
[M+K]+ 136.015923 126.7
[M+H-H2O]+ 80.050025 107.9
[M+HCOO]- 142.050966 136.8
[M+CH3COO]- 156.066616 180.3
[M+Na-2H]- 118.027431 125.6
[M]+ 97.05221642 114.4
[M]- 97.05331358 114.4
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