CID 4026

Mdl72527

Structural Information

Molecular Formula
C12H20N2
SMILES
C=C=CCNCCCCNCC=C=C
InChI
InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
InChIKey
IKSQCMLJDHRWOA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

90
References

56
Patents

192.16264 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 148.2
[M+Na]+ 215.15186 152.5
[M-H]- 191.15536 147.4
[M+NH4]+ 210.19646 167.1
[M+K]+ 231.12580 148.2
[M+H-H2O]+ 175.15990 142.1
[M+HCOO]- 237.16084 172.8
[M+CH3COO]- 251.17649 190.2
[M+Na-2H]- 213.13731 152.6
[M]+ 192.16209 147.1
[M]- 192.16319 147.1
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