CID 20458213

4-(benzyloxy)butanenitrile

Structural Information

Molecular Formula
C11H13NO
SMILES
C1=CC=C(C=C1)COCCCC#N
InChI
InChI=1S/C11H13NO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,9-10H2
InChIKey
LCXIBFQKPWBUSG-UHFFFAOYSA-N
Compound name
4-phenylmethoxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

175.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 140.5
[M+Na]+ 198.08894 152.7
[M+NH4]+ 193.13354 145.8
[M+K]+ 214.06288 142.1
[M-H]- 174.09244 135.7
[M+Na-2H]- 196.07439 145.3
[M]+ 175.09917 140.1
[M]- 175.10027 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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