CID 68056775

7-methyl-1,4-oxazepane hydrochloride

Structural Information

Molecular Formula

SMILES

CC1CCNCCO1

InChI

InChI=1S/C6H13NO/c1-6-2-3-7-4-5-8-6/h6-7H,2-5H2,1H3

InChIKey

OHRBILWMOMYHED-UHFFFAOYSA-N

Compound name

7-methyl-1,4-oxazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 115.09972 Da
Monoisotopic Mass: 0.2
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]+	116.10700	118.5
[M+Na]+	138.08894	121.7
[M-H]-	114.09244	120.3
[M+NH4]+	133.13354	136.1
[M+K]+	154.06288	125.8
[M+H-H2O]+	98.096980	112.7
[M+HCOO]-	160.09792	135.5
[M+CH3COO]-	174.11357	168.0
[M+Na-2H]-	136.07439	125.5
[M]+	115.09917	110.7
[M]-	115.10027	110.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe