CID 88455

N,n,n',n'-tetrabutylmethylenediamine

Structural Information

Molecular Formula
C17H38N2
SMILES
CCCCN(CCCC)CN(CCCC)CCCC
InChI
InChI=1S/C17H38N2/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4/h5-17H2,1-4H3
InChIKey
XHQHCZJKIMGMBY-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrabutylmethanediamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

101
Patents

270.3035 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.310776 178.2
[M+Na]+ 293.292718 179.4
[M-H]- 269.296224 179.2
[M+NH4]+ 288.337323 195.5
[M+K]+ 309.266658 179.0
[M+H-H2O]+ 253.300760 170.4
[M+HCOO]- 315.301701 201.3
[M+CH3COO]- 329.317351 217.2
[M+Na-2H]- 291.278166 178.1
[M]+ 270.30295142 184.5
[M]- 270.30404858 184.5
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