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]+ 200.128126 145.1
[M+Na]+ 222.110068 150.4
[M-H]- 198.113574 148.3
[M+NH4]+ 217.154673 160.3
[M+K]+ 238.084008 153.2
[M+H-H2O]+ 182.118110 136.8
[M+HCOO]- 244.119051 160.5
[M+CH3COO]- 258.134701 188.0
[M+Na-2H]- 220.095516 150.3
[M]+ 199.12030142 151.1
[M]- 199.12139858 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.