CID 3412587

N,n'-bis(3-oximino-2-methyl-2-butyl)-1,3-diaminopropane

Structural Information

Molecular Formula
C13H28N4O2
SMILES
CC(=NO)C(C)(C)NCCCNC(C)(C)C(=NO)C
InChI
InChI=1S/C13H28N4O2/c1-10(16-18)12(3,4)14-8-7-9-15-13(5,6)11(2)17-19/h14-15,18-19H,7-9H2,1-6H3
InChIKey
CBZKJIFDOVBYKP-UHFFFAOYSA-N
Compound name
N-[3-[3-[(3-hydroxyimino-2-methylbutan-2-yl)amino]propylamino]-3-methylbutan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

272.22122 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22850 168.0
[M+Na]+ 295.21044 169.8
[M-H]- 271.21394 167.6
[M+NH4]+ 290.25504 183.1
[M+K]+ 311.18438 169.7
[M+H-H2O]+ 255.21848 161.6
[M+HCOO]- 317.21942 189.3
[M+CH3COO]- 331.23507 211.8
[M+Na-2H]- 293.19589 171.7
[M]+ 272.22067 167.5
[M]- 272.22177 167.5
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