CID 66797

97-13-2

Structural Information

Molecular Formula
C11H26N2
SMILES
CC(C)NCCN(C(C)C)C(C)C
InChI
InChI=1S/C11H26N2/c1-9(2)12-7-8-13(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3
InChIKey
NBRDOTCCPKGGCZ-UHFFFAOYSA-N
Compound name
N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

63
Patents

186.2096 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.21688 152.0
[M+Na]+ 209.19882 155.0
[M-H]- 185.20232 153.1
[M+NH4]+ 204.24342 171.9
[M+K]+ 225.17276 156.2
[M+H-H2O]+ 169.20686 145.9
[M+HCOO]- 231.20780 173.6
[M+CH3COO]- 245.22345 198.2
[M+Na-2H]- 207.18427 152.1
[M]+ 186.20905 152.8
[M]- 186.21015 152.8
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.