CID 18993722

2-(3-methyloxetan-3-yl)acetonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1(COC1)CC#N
InChI
InChI=1S/C6H9NO/c1-6(2-3-7)4-8-5-6/h2,4-5H2,1H3
InChIKey
WQTGTYASEFLGEH-UHFFFAOYSA-N
Compound name
2-(3-methyloxetan-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

111.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 111.8
[M+Na]+ 134.057628 120.3
[M-H]- 110.061134 116.4
[M+NH4]+ 129.102233 127.4
[M+K]+ 150.031568 124.3
[M+H-H2O]+ 94.065670 97.6
[M+HCOO]- 156.066611 130.5
[M+CH3COO]- 170.082261 184.7
[M+Na-2H]- 132.043076 121.3
[M]+ 111.06786142 115.7
[M]- 111.06895858 115.7
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