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
1
Annotation Hits

1
References

59
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

literature stripe

Patent stripe

patents stripe