CID 70370525

3-cyclopentyl-3-hydroxypropanenitrile

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CCC(C1)C(CC#N)O
InChI
InChI=1S/C8H13NO/c9-6-5-8(10)7-3-1-2-4-7/h7-8,10H,1-5H2
InChIKey
RNCFMUGYSVLAHZ-UHFFFAOYSA-N
Compound name
3-cyclopentyl-3-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

139.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 132.5
[M+Na]+ 162.08894 141.0
[M+NH4]+ 157.13354 137.4
[M+K]+ 178.06288 134.4
[M-H]- 138.09244 125.9
[M+Na-2H]- 160.07439 133.8
[M]+ 139.09917 130.7
[M]- 139.10027 130.7
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