CID 11970710

6-amino-2,2-dimethyl-1,3-dioxepin-5-ol

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC1(OC=C(C(=CO1)O)N)C
InChI
InChI=1S/C7H11NO3/c1-7(2)10-3-5(8)6(9)4-11-7/h3-4,9H,8H2,1-2H3
InChIKey
IRIRHXXUSZTSTF-UHFFFAOYSA-N
Compound name
6-amino-2,2-dimethyl-1,3-dioxepin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

157.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 126.2
[M+Na]+ 180.063118 132.7
[M-H]- 156.066624 131.2
[M+NH4]+ 175.107723 144.3
[M+K]+ 196.037058 138.3
[M+H-H2O]+ 140.071160 121.7
[M+HCOO]- 202.072101 146.7
[M+CH3COO]- 216.087751 177.5
[M+Na-2H]- 178.048566 134.5
[M]+ 157.07335142 123.7
[M]- 157.07444858 123.7
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