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]+ 110.09643 119.1
[M+Na]+ 132.07837 134.8
[M-H]- 108.08187 126.1
[M+NH4]+ 127.12297 139.1
[M+K]+ 148.05231 130.3
[M+H-H2O]+ 92.086410 111.2
[M+HCOO]- 154.08735 141.3
[M+CH3COO]- 168.10300 186.2
[M+Na-2H]- 130.06382 129.1
[M]+ 109.08860 119.2
[M]- 109.08970 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