CID 92474

56637-94-6

Structural Information

Molecular Formula
C15H29NO
SMILES
CCCCCCCCCCCCOCCC#N
InChI
InChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-12,14-15H2,1H3
InChIKey
ARSMZQPQPVWIFJ-UHFFFAOYSA-N
Compound name
3-dodecoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.22491 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.23219 159.0
[M+Na]+ 262.21413 167.8
[M+NH4]+ 257.25873 162.6
[M+K]+ 278.18807 157.0
[M-H]- 238.21763 151.6
[M+Na-2H]- 260.19958 159.2
[M]+ 239.22436 157.2
[M]- 239.22546 157.2
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

patents stripe