CID 73291767

4-azidomethyl-l-phenylalanine

Structural Information

Molecular Formula
C10H12N4O2
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)CN=[N+]=[N-]
InChI
InChI=1S/C10H12N4O2/c11-9(10(15)16)5-7-1-3-8(4-2-7)6-13-14-12/h1-4,9H,5-6,11H2,(H,15,16)/t9-/m0/s1
InChIKey
GAJBPZXIKZXTCG-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-[4-(azidomethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2060
Patents

220.09602 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 145.5
[M+Na]+ 243.08524 150.2
[M-H]- 219.08874 149.8
[M+NH4]+ 238.12984 162.3
[M+K]+ 259.05918 143.9
[M+H-H2O]+ 203.09328 142.6
[M+HCOO]- 265.09422 174.0
[M+CH3COO]- 279.10987 191.4
[M+Na-2H]- 241.07069 152.5
[M]+ 220.09547 141.2
[M]- 220.09657 141.2
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