CID 143757999

3-(1-methylcyclopropyl)propanenitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC1(CC1)CCC#N
InChI
InChI=1S/C7H11N/c1-7(4-5-7)3-2-6-8/h2-5H2,1H3
InChIKey
URRUITOYANCIJC-UHFFFAOYSA-N
Compound name
3-(1-methylcyclopropyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

109.08915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 119.1
[M+Na]+ 132.078368 134.8
[M-H]- 108.081874 126.1
[M+NH4]+ 127.122973 139.1
[M+K]+ 148.052308 130.3
[M+H-H2O]+ 92.086410 111.2
[M+HCOO]- 154.087351 141.3
[M+CH3COO]- 168.103001 186.2
[M+Na-2H]- 130.063816 129.1
[M]+ 109.08860142 119.2
[M]- 109.08969858 119.2
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