CID 3496

Glyphosate

Structural Information

Molecular Formula
C3H8NO5P
SMILES
C(C(=O)O)NCP(=O)(O)O
InChI
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKey
XDDAORKBJWWYJS-UHFFFAOYSA-N
Compound name
2-(phosphonomethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

4178
References

85665
Patents

169.014 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02128 133.7
[M+Na]+ 192.00322 139.9
[M-H]- 168.00672 128.9
[M+NH4]+ 187.04782 151.9
[M+K]+ 207.97716 139.5
[M+H-H2O]+ 152.01126 127.2
[M+HCOO]- 214.01220 158.9
[M+CH3COO]- 228.02785 171.9
[M+Na-2H]- 189.98867 137.0
[M]+ 169.01345 133.4
[M]- 169.01455 133.4
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

No patent data available for this compound.