CID 57384526

3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carbonitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
C1C2(CC1(C2)C#N)CO
InChI
InChI=1S/C7H9NO/c8-4-6-1-7(2-6,3-6)5-9/h9H,1-3,5H2
InChIKey
ICMZHMYZIPFSKI-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

123.06841 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 143.0
[M+Na]+ 146.05763 141.3
[M+NH4]+ 141.10223 141.5
[M+K]+ 162.03157 136.6
[M-H]- 122.06113 131.9
[M+Na-2H]- 144.04308 139.0
[M]+ 123.06786 136.8
[M]- 123.06896 136.8
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