CID 10725577

3-[methyl(pentyl)amino]propanenitrile

Structural Information

Molecular Formula
C9H18N2
SMILES
CCCCCN(C)CCC#N
InChI
InChI=1S/C9H18N2/c1-3-4-5-8-11(2)9-6-7-10/h3-6,8-9H2,1-2H3
InChIKey
WCYOUTNXDJQKJM-UHFFFAOYSA-N
Compound name
3-[methyl(pentyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

154.147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 134.1
[M+Na]+ 177.13622 141.3
[M-H]- 153.13972 135.7
[M+NH4]+ 172.18082 153.6
[M+K]+ 193.11016 141.4
[M+H-H2O]+ 137.14426 122.1
[M+HCOO]- 199.14520 154.9
[M+CH3COO]- 213.16085 197.8
[M+Na-2H]- 175.12167 139.2
[M]+ 154.14645 131.8
[M]- 154.14755 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