CID 3671531

N-[(9h-fluoren-9-ylmethoxy)carbonyl]aspartic acid

Structural Information

Molecular Formula
C19H17NO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C(=O)O
InChI
InChI=1S/C19H17NO6/c21-17(22)9-16(18(23)24)20-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,25)(H,21,22)(H,23,24)
InChIKey
KSDTXRUIZMTBNV-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

355.1056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11288 179.4
[M+Na]+ 378.09482 183.7
[M-H]- 354.09832 181.8
[M+NH4]+ 373.13942 193.6
[M+K]+ 394.06876 181.2
[M+H-H2O]+ 338.10286 173.0
[M+HCOO]- 400.10380 196.5
[M+CH3COO]- 414.11945 211.7
[M+Na-2H]- 376.08027 180.3
[M]+ 355.10505 181.3
[M]- 355.10615 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe