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

3
Annotation Hits: 0
References: 41
Patents: 207.16231 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.16959	144.2
[M+Na]+	230.15153	148.0
[M-H]-	206.15503	144.6
[M+NH4]+	225.19613	160.0
[M+K]+	246.12547	148.0
[M+H-H2O]+	190.15957	140.6
[M+HCOO]-	252.16051	160.5
[M+CH3COO]-	266.17616	154.6
[M+Na-2H]-	228.13698	148.0
[M]+	207.16176	136.3
[M]-	207.16286	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe