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

327
Patents

323.11575 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 172.3
[M+Na]+ 346.10497 177.7
[M-H]- 322.10847 177.9
[M+NH4]+ 341.14957 181.5
[M+K]+ 362.07891 177.0
[M+H-H2O]+ 306.11301 159.6
[M+HCOO]- 368.11395 188.3
[M+CH3COO]- 382.12960 208.1
[M+Na-2H]- 344.09042 173.4
[M]+ 323.11520 182.2
[M]- 323.11630 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