CID 23395

6959-71-3

Structural Information

Molecular Formula
C7H13NO
SMILES
CCCCOCCC#N
InChI
InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3
InChIKey
AWVNJBFNHGQUQU-UHFFFAOYSA-N
Compound name
3-butoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

478
Patents

127.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 123.4
[M+Na]+ 150.08894 132.2
[M-H]- 126.09244 124.2
[M+NH4]+ 145.13354 143.7
[M+K]+ 166.06288 131.9
[M+H-H2O]+ 110.09698 112.4
[M+HCOO]- 172.09792 143.9
[M+CH3COO]- 186.11357 186.6
[M+Na-2H]- 148.07439 130.3
[M]+ 127.09917 121.5
[M]- 127.10027 121.5
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