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

58
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 115.5
[M+Na]+ 118.062718 131.5
[M-H]- 94.066224 122.6
[M+NH4]+ 113.107323 136.0
[M+K]+ 134.036658 127.2
[M+H-H2O]+ 78.070760 107.7
[M+HCOO]- 140.071701 137.9
[M+CH3COO]- 154.087351 183.6
[M+Na-2H]- 116.048166 125.9
[M]+ 95.07295142 115.3
[M]- 95.07404858 115.3
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