CID 131558711

1-ethyl-3-hydroxycyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
CCC1(CC(C1)O)C#N
InChI
InChI=1S/C7H11NO/c1-2-7(5-8)3-6(9)4-7/h6,9H,2-4H2,1H3
InChIKey
IJVMYJHWJOQISG-UHFFFAOYSA-N
Compound name
1-ethyl-3-hydroxycyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 121.2
[M+Na]+ 148.07328 129.7
[M-H]- 124.07678 124.4
[M+NH4]+ 143.11788 137.1
[M+K]+ 164.04722 131.8
[M+H-H2O]+ 108.08132 107.5
[M+HCOO]- 170.08226 139.0
[M+CH3COO]- 184.09791 186.0
[M+Na-2H]- 146.05873 127.8
[M]+ 125.08351 123.6
[M]- 125.08461 123.6
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

No patent data available for this compound.