CID 162297

38303-23-0

Structural Information

Molecular Formula
C13H21NO
SMILES
C1CCCCCC2=C(CCCC1)N=CO2
InChI
InChI=1S/C13H21NO/c1-2-4-6-8-10-13-12(14-11-15-13)9-7-5-3-1/h11H,1-10H2
InChIKey
LUVGCXAXOHXTEI-UHFFFAOYSA-N
Compound name
4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

207.16231 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 147.3
[M+Na]+ 230.15153 157.7
[M+NH4]+ 225.19613 155.8
[M+K]+ 246.12547 152.5
[M-H]- 206.15503 151.3
[M+Na-2H]- 228.13698 152.3
[M]+ 207.16176 149.5
[M]- 207.16286 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe