CID 75467621

1797798-82-3

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC1(C2C(C1(C(=O)O)N)CCCO2)C
InChI
InChI=1S/C10H17NO3/c1-9(2)7-6(4-3-5-14-7)10(9,11)8(12)13/h6-7H,3-5,11H2,1-2H3,(H,12,13)
InChIKey
KFBWPOWJKBRHNJ-UHFFFAOYSA-N
Compound name
7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.1
[M+Na]+ 222.11007 150.4
[M-H]- 198.11357 148.3
[M+NH4]+ 217.15467 160.3
[M+K]+ 238.08401 153.2
[M+H-H2O]+ 182.11811 136.8
[M+HCOO]- 244.11905 160.5
[M+CH3COO]- 258.13470 188.0
[M+Na-2H]- 220.09552 150.3
[M]+ 199.12030 151.1
[M]- 199.12140 151.1
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.