CID 4150464

Propanenitrile, 3-(pentyloxy)-

Structural Information

Molecular Formula
C8H15NO
SMILES
CCCCCOCCC#N
InChI
InChI=1S/C8H15NO/c1-2-3-4-7-10-8-5-6-9/h2-5,7-8H2,1H3
InChIKey
IYAJKHNZVFJVRX-UHFFFAOYSA-N
Compound name
3-pentoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

141.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 127.4
[M+Na]+ 164.104588 135.8
[M-H]- 140.108094 128.0
[M+NH4]+ 159.149193 147.2
[M+K]+ 180.078528 135.2
[M+H-H2O]+ 124.112630 116.2
[M+HCOO]- 186.113571 147.6
[M+CH3COO]- 200.129221 189.3
[M+Na-2H]- 162.090036 133.8
[M]+ 141.11482142 125.8
[M]- 141.11591858 125.8
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