CID 23468082

2-(1-hydroxycyclopentyl)acetonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCC(C1)(CC#N)O
InChI
InChI=1S/C7H11NO/c8-6-5-7(9)3-1-2-4-7/h9H,1-5H2
InChIKey
LGZCCERSJXVXMD-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclopentyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

125.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 126.7
[M+Na]+ 148.073278 136.1
[M-H]- 124.076784 128.9
[M+NH4]+ 143.117883 149.4
[M+K]+ 164.047218 132.8
[M+H-H2O]+ 108.081320 116.1
[M+HCOO]- 170.082261 145.3
[M+CH3COO]- 184.097911 180.1
[M+Na-2H]- 146.058726 132.4
[M]+ 125.08351142 119.1
[M]- 125.08460858 119.1
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