CID 434804

72738-47-7

Structural Information

Molecular Formula
C12H22N4
SMILES
C1CN2CCN3CCCN4C3C2N(C1)CC4
InChI
InChI=1S/C12H22N4/c1-3-13-7-9-15-5-2-6-16-10-8-14(4-1)11(13)12(15)16/h11-12H,1-10H2
InChIKey
CMHJBNKGPWROQM-UHFFFAOYSA-N
Compound name
1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

222.18445 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.19173 155.2
[M+Na]+ 245.17367 157.6
[M-H]- 221.17717 151.4
[M+NH4]+ 240.21827 170.4
[M+K]+ 261.14761 153.7
[M+H-H2O]+ 205.18171 143.8
[M+HCOO]- 267.18265 159.5
[M+CH3COO]- 281.19830 162.2
[M+Na-2H]- 243.15912 160.1
[M]+ 222.18390 145.5
[M]- 222.18500 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe