CID 117273842

1849196-57-1

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC1(CCO)C#N
InChI
InChI=1S/C6H9NO/c7-5-6(1-2-6)3-4-8/h8H,1-4H2
InChIKey
NFMCQNMBFLPELK-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

111.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 123.0
[M+Na]+ 134.05763 134.4
[M+NH4]+ 129.10223 129.9
[M+K]+ 150.03157 126.2
[M-H]- 110.06113 123.3
[M+Na-2H]- 132.04308 129.6
[M]+ 111.06786 124.9
[M]- 111.06896 124.9
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