CID 3790585

N',n'-di(propan-2-yl)pentane-1,5-diamine

Structural Information

Molecular Formula
C11H26N2
SMILES
CC(C)N(CCCCCN)C(C)C
InChI
InChI=1S/C11H26N2/c1-10(2)13(11(3)4)9-7-5-6-8-12/h10-11H,5-9,12H2,1-4H3
InChIKey
CIFBCEXYFFKMEB-UHFFFAOYSA-N
Compound name
N',N'-di(propan-2-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

186.2096 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.216876 152.1
[M+Na]+ 209.198818 155.2
[M-H]- 185.202324 152.5
[M+NH4]+ 204.243423 171.7
[M+K]+ 225.172758 155.6
[M+H-H2O]+ 169.206860 145.8
[M+HCOO]- 231.207801 174.0
[M+CH3COO]- 245.223451 196.6
[M+Na-2H]- 207.184266 152.3
[M]+ 186.20905142 152.5
[M]- 186.21014858 152.5
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