CID 13802779

53485-05-5

Structural Information

Molecular Formula
C9H22N2
SMILES
CC(C)N(CCCN)C(C)C
InChI
InChI=1S/C9H22N2/c1-8(2)11(9(3)4)7-5-6-10/h8-9H,5-7,10H2,1-4H3
InChIKey
QPGRDTXELAFGRG-UHFFFAOYSA-N
Compound name
N',N'-di(propan-2-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

158.1783 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.185576 142.8
[M+Na]+ 181.167518 146.8
[M-H]- 157.171024 143.6
[M+NH4]+ 176.212123 163.6
[M+K]+ 197.141458 147.7
[M+H-H2O]+ 141.175560 136.9
[M+HCOO]- 203.176501 165.4
[M+CH3COO]- 217.192151 190.6
[M+Na-2H]- 179.152966 144.1
[M]+ 158.17775142 142.4
[M]- 158.17884858 142.4
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

patents stripe