CID 123502

1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane

Structural Information

Molecular Formula
C14H32N4
SMILES
CN1CCCN(CCN(CCCN(CC1)C)C)C
InChI
InChI=1S/C14H32N4/c1-15-7-5-8-17(3)13-14-18(4)10-6-9-16(2)12-11-15/h5-14H2,1-4H3
InChIKey
HRFJEOWVAGSJNW-UHFFFAOYSA-N
Compound name
1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

1210
Patents

256.2627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.26998 167.2
[M+Na]+ 279.25192 170.8
[M-H]- 255.25542 162.5
[M+NH4]+ 274.29652 176.1
[M+K]+ 295.22586 169.2
[M+H-H2O]+ 239.25996 160.6
[M+HCOO]- 301.26090 176.7
[M+CH3COO]- 315.27655 192.0
[M+Na-2H]- 277.23737 165.5
[M]+ 256.26215 157.1
[M]- 256.26325 157.1
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