CID 3020025

3-propylhept-2-enenitrile

Structural Information

Molecular Formula
C10H17N
SMILES
CCCCC(=CC#N)CCC
InChI
InChI=1S/C10H17N/c1-3-5-7-10(6-4-2)8-9-11/h8H,3-7H2,1-2H3
InChIKey
VXIGNRZQXAHCMN-UHFFFAOYSA-N
Compound name
3-propylhept-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.1361 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.143376 134.7
[M+Na]+ 174.125318 142.5
[M-H]- 150.128824 135.2
[M+NH4]+ 169.169923 154.1
[M+K]+ 190.099258 140.8
[M+H-H2O]+ 134.133360 123.4
[M+HCOO]- 196.134301 153.3
[M+CH3COO]- 210.149951 192.3
[M+Na-2H]- 172.110766 138.8
[M]+ 151.13555142 131.2
[M]- 151.13664858 131.2
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

No patent data available for this compound.