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
11
Annotation Hits

4178
References

86024
Patents

169.014 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.021276 133.7
[M+Na]+ 192.003218 139.9
[M-H]- 168.006724 128.9
[M+NH4]+ 187.047823 151.9
[M+K]+ 207.977158 139.5
[M+H-H2O]+ 152.011260 127.2
[M+HCOO]- 214.012201 158.9
[M+CH3COO]- 228.027851 171.9
[M+Na-2H]- 189.988666 137.0
[M]+ 169.01345142 133.4
[M]- 169.01454858 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

literature stripe

Patent stripe

patents stripe