CID 66969

3-isopropoxypropanenitrile

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)OCCC#N
InChI
InChI=1S/C6H11NO/c1-6(2)8-5-3-4-7/h6H,3,5H2,1-2H3
InChIKey
BMSYXLRQGIFLFO-UHFFFAOYSA-N
Compound name
3-propan-2-yloxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

184
Patents

113.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.1
[M+Na]+ 136.07328 133.2
[M+NH4]+ 131.11788 128.0
[M+K]+ 152.04722 125.1
[M-H]- 112.07678 115.9
[M+Na-2H]- 134.05873 125.2
[M]+ 113.08351 121.5
[M]- 113.08461 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

literature stripe

Patent stripe

patents stripe