CID 21760135

150543-61-6

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-5-4-12(7-13)6-8(12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
QXRGGYBREHVBNA-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

241.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 157.6
[M+Na]+ 264.120628 165.8
[M-H]- 240.124134 161.4
[M+NH4]+ 259.165233 172.6
[M+K]+ 280.094568 163.8
[M+H-H2O]+ 224.128670 153.5
[M+HCOO]- 286.129611 173.6
[M+CH3COO]- 300.145261 190.2
[M+Na-2H]- 262.106076 159.8
[M]+ 241.13086142 160.4
[M]- 241.13195858 160.4
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