CID 137321775

Einecs 262-866-8

Structural Information

Molecular Formula
C11H21N3O
SMILES
CCCCCCCCN1CC(=O)NC1=N
InChI
InChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-14-9-10(15)13-11(14)12/h2-9H2,1H3,(H2,12,13,15)
InChIKey
HMKMXUPKLKKQOZ-UHFFFAOYSA-N
Compound name
2-imino-1-octylimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.175736 152.3
[M+Na]+ 234.157678 157.7
[M-H]- 210.161184 150.9
[M+NH4]+ 229.202283 169.3
[M+K]+ 250.131618 154.2
[M+H-H2O]+ 194.165720 144.8
[M+HCOO]- 256.166661 171.4
[M+CH3COO]- 270.182311 188.4
[M+Na-2H]- 232.143126 153.5
[M]+ 211.16791142 149.9
[M]- 211.16900858 149.9
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

No patent data available for this compound.