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

16
Patents

111.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 118.9
[M+Na]+ 134.057628 134.5
[M-H]- 110.061134 124.7
[M+NH4]+ 129.102233 138.1
[M+K]+ 150.031568 129.7
[M+H-H2O]+ 94.065670 111.3
[M+HCOO]- 156.066611 140.1
[M+CH3COO]- 170.082261 182.9
[M+Na-2H]- 132.043076 128.8
[M]+ 111.06786142 118.3
[M]- 111.06895858 118.3
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