CID 469925

22687-38-3

Structural Information

Molecular Formula
C11H26N2
SMILES
CC(C)(C)NCCCNC(C)(C)C
InChI
InChI=1S/C11H26N2/c1-10(2,3)12-8-7-9-13-11(4,5)6/h12-13H,7-9H2,1-6H3
InChIKey
NIMAFSFVBYEOTB-UHFFFAOYSA-N
Compound name
N,N'-ditert-butylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

186.2096 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.21688 149.7
[M+Na]+ 209.19882 154.2
[M-H]- 185.20232 149.7
[M+NH4]+ 204.24342 169.5
[M+K]+ 225.17276 153.4
[M+H-H2O]+ 169.20686 144.9
[M+HCOO]- 231.20780 170.7
[M+CH3COO]- 245.22345 191.5
[M+Na-2H]- 207.18427 155.8
[M]+ 186.20905 150.0
[M]- 186.21015 150.0
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

No patent data available for this compound.