CID 68871182

2-(1-methylcyclopropyl)acetonitrile

Structural Information

Molecular Formula
C6H9N
SMILES
CC1(CC1)CC#N
InChI
InChI=1S/C6H9N/c1-6(2-3-6)4-5-7/h2-4H2,1H3
InChIKey
CLDAHMXXIOTQQA-UHFFFAOYSA-N
Compound name
2-(1-methylcyclopropyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

95.0735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 119.6
[M+Na]+ 118.06272 131.9
[M+NH4]+ 113.10732 127.3
[M+K]+ 134.03666 123.1
[M-H]- 94.066224 120.8
[M+Na-2H]- 116.04817 127.2
[M]+ 95.072951 122.1
[M]- 95.074049 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe