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

253
Patents

211.20485 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.21213 156.4
[M+Na]+ 234.19407 159.6
[M-H]- 210.19757 158.5
[M+NH4]+ 229.23867 175.7
[M+K]+ 250.16801 159.4
[M+H-H2O]+ 194.20211 149.2
[M+HCOO]- 256.20305 182.6
[M+CH3COO]- 270.21870 203.8
[M+Na-2H]- 232.17952 159.3
[M]+ 211.20430 158.5
[M]- 211.20540 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