CID 12609619

14743-56-7

Structural Information

Molecular Formula
C4H5NO
SMILES
C1CC1(C#N)O
InChI
InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2
InChIKey
UHNIISSYNHNAEM-UHFFFAOYSA-N
Compound name
1-hydroxycyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

83.03712 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.044396 111.7
[M+Na]+ 106.02634 128.0
[M-H]- 82.029844 117.8
[M+NH4]+ 101.07094 131.9
[M+K]+ 122.00028 123.7
[M+H-H2O]+ 66.034380 104.4
[M+HCOO]- 128.03532 133.4
[M+CH3COO]- 142.05097 177.7
[M+Na-2H]- 104.01179 122.4
[M]+ 83.036571 110.5
[M]- 83.037669 110.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe