CID 14984422

141120-17-4

Structural Information

Molecular Formula
C9H12NO3P
SMILES
C1C2=CC=CC=C2CC1(N)P(=O)(O)O
InChI
InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)
InChIKey
YJFRDRWPYDVEIH-UHFFFAOYSA-N
Compound name
(2-amino-1,3-dihydroinden-2-yl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

39
Patents

213.05548 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06276 145.6
[M+Na]+ 236.04470 153.2
[M-H]- 212.04820 146.1
[M+NH4]+ 231.08930 167.6
[M+K]+ 252.01864 150.2
[M+H-H2O]+ 196.05274 139.4
[M+HCOO]- 258.05368 170.9
[M+CH3COO]- 272.06933 181.6
[M+Na-2H]- 234.03015 149.9
[M]+ 213.05493 143.1
[M]- 213.05603 143.1
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