CID 3016325

3-methylnonanenitrile

Structural Information

Molecular Formula
C10H19N
SMILES
CCCCCCC(C)CC#N
InChI
InChI=1S/C10H19N/c1-3-4-5-6-7-10(2)8-9-11/h10H,3-8H2,1-2H3
InChIKey
FKZSSFLBNYYIDS-UHFFFAOYSA-N
Compound name
3-methylnonanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.159026 134.6
[M+Na]+ 176.140968 142.1
[M-H]- 152.144474 135.1
[M+NH4]+ 171.185573 154.0
[M+K]+ 192.114908 141.0
[M+H-H2O]+ 136.149010 123.3
[M+HCOO]- 198.149951 153.1
[M+CH3COO]- 212.165601 193.8
[M+Na-2H]- 174.126416 138.8
[M]+ 153.15120142 131.8
[M]- 153.15229858 131.8
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