CID 18520348

10595-61-6

Structural Information

Molecular Formula
C12H25N3
SMILES
CCC(=NCCNCCN=C(C)CC)C
InChI
InChI=1S/C12H25N3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h13H,5-10H2,1-4H3
InChIKey
NOJHYEMRGGBHOI-UHFFFAOYSA-N
Compound name
2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

288
Patents

211.20485 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.212126 156.4
[M+Na]+ 234.194068 159.6
[M-H]- 210.197574 158.5
[M+NH4]+ 229.238673 175.7
[M+K]+ 250.168008 159.4
[M+H-H2O]+ 194.202110 149.2
[M+HCOO]- 256.203051 182.6
[M+CH3COO]- 270.218701 203.8
[M+Na-2H]- 232.179516 159.3
[M]+ 211.20430142 158.5
[M]- 211.20539858 158.5
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