CID 3292084

1034708-26-3

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CCCCCC1C(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-8-6-4-5-7-9(13)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKey
BKMVFOKQLCHCPK-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

243.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 153.0
[M+Na]+ 266.13628 158.6
[M+NH4]+ 261.18088 157.4
[M+K]+ 282.11022 157.9
[M-H]- 242.13978 150.7
[M+Na-2H]- 264.12173 154.5
[M]+ 243.14651 152.8
[M]- 243.14761 152.8
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