CID 137935376

2248389-38-8

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-7-4-5-8(7)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9+/m0/s1
InChIKey
RSDWKMNMYQDLJN-XHNCKOQMSA-N
Compound name
(1S,2R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 156.2
[M+Na]+ 264.120628 160.5
[M-H]- 240.124134 157.6
[M+NH4]+ 259.165233 168.1
[M+K]+ 280.094568 162.8
[M+H-H2O]+ 224.128670 146.4
[M+HCOO]- 286.129611 170.3
[M+CH3COO]- 300.145261 192.9
[M+Na-2H]- 262.106076 156.4
[M]+ 241.13086142 165.1
[M]- 241.13195858 165.1
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

patents stripe