CID 7567141

74676-52-1

Structural Information

Molecular Formula
C10H23N3
SMILES
C1CCNCCCNCCCNC1
InChI
InChI=1S/C10H23N3/c1-2-6-12-8-4-10-13-9-3-7-11-5-1/h11-13H,1-10H2
InChIKey
UXABFDDIKPVEBR-UHFFFAOYSA-N
Compound name
1,5,9-triazacyclotridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.1892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.19648 147.2
[M+Na]+ 208.17842 147.3
[M-H]- 184.18192 138.6
[M+NH4]+ 203.22302 156.9
[M+K]+ 224.15236 144.5
[M+H-H2O]+ 168.18646 141.7
[M+HCOO]- 230.18740 155.3
[M+CH3COO]- 244.20305 153.0
[M+Na-2H]- 206.16387 149.2
[M]+ 185.18865 129.2
[M]- 185.18975 129.2
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