CID 115114

2-(2,3-dicarboxycyclopropyl)glycine

Structural Information

Molecular Formula
C7H9NO6
SMILES
[C@H]1(C(C1C(=O)O)[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t1?,2-,3?,4+/m1/s1
InChIKey
MATPZHBYOVDBLI-IDPZHQIBSA-N
Compound name
(1R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

218
References

1150
Patents

203.04298 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05026 135.0
[M+Na]+ 226.03220 143.0
[M-H]- 202.03570 135.7
[M+NH4]+ 221.07680 146.6
[M+K]+ 242.00614 140.0
[M+H-H2O]+ 186.04024 130.2
[M+HCOO]- 248.04118 152.6
[M+CH3COO]- 262.05683 185.2
[M+Na-2H]- 224.01765 134.3
[M]+ 203.04243 135.8
[M]- 203.04353 135.8
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