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

24
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 132.0
[M+Na]+ 162.08894 139.7
[M-H]- 138.09244 133.7
[M+NH4]+ 157.13354 152.3
[M+K]+ 178.06288 137.1
[M+H-H2O]+ 122.09698 120.3
[M+HCOO]- 184.09792 149.3
[M+CH3COO]- 198.11357 184.0
[M+Na-2H]- 160.07439 134.9
[M]+ 139.09917 123.8
[M]- 139.10027 123.8
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