CID 120196

1,4,7,10,13-pentaazacyclopentadecane

Structural Information

Molecular Formula
C10H25N5
SMILES
C1CNCCNCCNCCNCCN1
InChI
InChI=1S/C10H25N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h11-15H,1-10H2
InChIKey
KDCBVVQAMMXRFB-UHFFFAOYSA-N
Compound name
1,4,7,10,13-pentazacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

687
Patents

215.211 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.21828 157.2
[M+Na]+ 238.20022 156.3
[M-H]- 214.20372 144.0
[M+NH4]+ 233.24482 161.4
[M+K]+ 254.17416 151.6
[M+H-H2O]+ 198.20826 150.5
[M+HCOO]- 260.20920 158.9
[M+CH3COO]- 274.22485 159.9
[M+Na-2H]- 236.18567 158.0
[M]+ 215.21045 134.6
[M]- 215.21155 134.6
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