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

12
Patents

127.06333 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 118.6
[M+Na]+ 150.05255 128.8
[M-H]- 126.05605 122.9
[M+NH4]+ 145.09715 139.6
[M+K]+ 166.02649 129.0
[M+H-H2O]+ 110.06059 107.9
[M+HCOO]- 172.06153 137.4
[M+CH3COO]- 186.07718 181.6
[M+Na-2H]- 148.03800 127.5
[M]+ 127.06278 114.8
[M]- 127.06388 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