CID 15598215

6-aminohept-2-enedioic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO4
SMILES
C(CC(C(=O)O)N)/C=C/C(=O)O
InChI
InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h2,4-5H,1,3,8H2,(H,9,10)(H,11,12)/b4-2+
InChIKey
AQNOFIJXEDHCMR-DUXPYHPUSA-N
Compound name
(E)-6-aminohept-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

173.0688 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 137.7
[M+Na]+ 196.058018 142.9
[M-H]- 172.061524 134.5
[M+NH4]+ 191.102623 155.6
[M+K]+ 212.031958 141.7
[M+H-H2O]+ 156.066060 132.7
[M+HCOO]- 218.067001 157.1
[M+CH3COO]- 232.082651 176.7
[M+Na-2H]- 194.043466 138.5
[M]+ 173.06825142 135.2
[M]- 173.06934858 135.2
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

patents stripe