CID 25665

13064-22-7

Structural Information

Molecular Formula
C13H17N
SMILES
C=CCC(CC=C)C1=CC=C(C=C1)N
InChI
InChI=1S/C13H17N/c1-3-5-11(6-4-2)12-7-9-13(14)10-8-12/h3-4,7-11H,1-2,5-6,14H2
InChIKey
DCPXIXLZYVHPDR-UHFFFAOYSA-N
Compound name
4-hepta-1,6-dien-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 144.3
[M+Na]+ 210.125318 150.5
[M-H]- 186.128824 147.1
[M+NH4]+ 205.169923 163.7
[M+K]+ 226.099258 146.5
[M+H-H2O]+ 170.133360 138.2
[M+HCOO]- 232.134301 167.4
[M+CH3COO]- 246.149951 187.8
[M+Na-2H]- 208.110766 147.7
[M]+ 187.13555142 142.3
[M]- 187.13664858 142.3
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.