CID 12530957

(1-cyanomethyl-cyclopropyl)-acetonitrile

Structural Information

Molecular Formula
C7H8N2
SMILES
C1CC1(CC#N)CC#N
InChI
InChI=1S/C7H8N2/c8-5-3-7(1-2-7)4-6-9/h1-4H2
InChIKey
UZFFTUDTQFIMFY-UHFFFAOYSA-N
Compound name
2-[1-(cyanomethyl)cyclopropyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

120.06875 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.07603 133.0
[M+Na]+ 143.05797 150.7
[M-H]- 119.06147 141.1
[M+NH4]+ 138.10257 148.9
[M+K]+ 159.03191 143.7
[M+H-H2O]+ 103.06601 123.8
[M+HCOO]- 165.06695 149.1
[M+CH3COO]- 179.08260 209.6
[M+Na-2H]- 141.04342 140.8
[M]+ 120.06820 130.5
[M]- 120.06930 130.5
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