CID 66842068

1131220-40-0

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC(C)(C)OC(=O)N1CCO[C@H](C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-8-9-21-13(10-17)11-4-6-12(7-5-11)14(18)19/h4-7,13H,8-10H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKey
BWLHTRAQVOVRCJ-CYBMUJFWSA-N
Compound name
4-[(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

307.14197 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 170.5
[M+Na]+ 330.13119 175.0
[M-H]- 306.13469 174.6
[M+NH4]+ 325.17579 181.7
[M+K]+ 346.10513 174.6
[M+H-H2O]+ 290.13923 162.9
[M+HCOO]- 352.14017 184.1
[M+CH3COO]- 366.15582 200.8
[M+Na-2H]- 328.11664 172.5
[M]+ 307.14142 170.0
[M]- 307.14252 170.0
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