CID 1415483

70029-96-8

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1(OCCO1)CC#N
InChI
InChI=1S/C6H9NO2/c1-6(2-3-7)8-4-5-9-6/h2,4-5H2,1H3
InChIKey
JQISGVUNNLJZPY-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-dioxolan-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

127.06333 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 118.6
[M+Na]+ 150.052548 128.8
[M-H]- 126.056054 122.9
[M+NH4]+ 145.097153 139.6
[M+K]+ 166.026488 129.0
[M+H-H2O]+ 110.060590 107.9
[M+HCOO]- 172.061531 137.4
[M+CH3COO]- 186.077181 181.6
[M+Na-2H]- 148.037996 127.5
[M]+ 127.06278142 114.8
[M]- 127.06387858 114.8
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