CID 130477416

4-cyclopropyloxane-4-carbonitrile

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CC1C2(CCOCC2)C#N
InChI
InChI=1S/C9H13NO/c10-7-9(8-1-2-8)3-5-11-6-4-9/h8H,1-6H2
InChIKey
YROOEXYFOTTXOC-UHFFFAOYSA-N
Compound name
4-cyclopropyloxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 127.4
[M+Na]+ 174.08894 141.5
[M-H]- 150.09244 136.3
[M+NH4]+ 169.13354 144.3
[M+K]+ 190.06288 137.2
[M+H-H2O]+ 134.09698 118.3
[M+HCOO]- 196.09792 146.0
[M+CH3COO]- 210.11357 189.8
[M+Na-2H]- 172.07439 136.9
[M]+ 151.09917 124.1
[M]- 151.10027 124.1
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

No patent data available for this compound.