CID 30719

2-imidazoline, 2-tridecyl-

Structural Information

Molecular Formula
C16H32N2
SMILES
CCCCCCCCCCCCCC1=NCCN1
InChI
InChI=1S/C16H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17-14-15-18-16/h2-15H2,1H3,(H,17,18)
InChIKey
UKJKJYIQYXYUSG-UHFFFAOYSA-N
Compound name
2-tridecyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

252.25655 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.26383 168.6
[M+Na]+ 275.24577 171.4
[M-H]- 251.24927 165.9
[M+NH4]+ 270.29037 184.0
[M+K]+ 291.21971 167.3
[M+H-H2O]+ 235.25381 159.9
[M+HCOO]- 297.25475 185.9
[M+CH3COO]- 311.27040 195.7
[M+Na-2H]- 273.23122 169.0
[M]+ 252.25600 169.4
[M]- 252.25710 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe