CID 2734468

(s)-n-fmoc-azetidine-2-carboxylic acid

Structural Information

Molecular Formula
C19H17NO4
SMILES
C1CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C19H17NO4/c21-18(22)17-9-10-20(17)19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1
InChIKey
BXRZCDISGRVJCA-KRWDZBQOSA-N
Compound name
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

323.11575 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 172.3
[M+Na]+ 346.104968 177.7
[M-H]- 322.108474 177.9
[M+NH4]+ 341.149573 181.5
[M+K]+ 362.078908 177.0
[M+H-H2O]+ 306.113010 159.6
[M+HCOO]- 368.113951 188.3
[M+CH3COO]- 382.129601 208.1
[M+Na-2H]- 344.090416 173.4
[M]+ 323.11520142 182.2
[M]- 323.11629858 182.2
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