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

28
Patents

173.0688 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 137.7
[M+Na]+ 196.05802 142.9
[M-H]- 172.06152 134.5
[M+NH4]+ 191.10262 155.6
[M+K]+ 212.03196 141.7
[M+H-H2O]+ 156.06606 132.7
[M+HCOO]- 218.06700 157.1
[M+CH3COO]- 232.08265 176.7
[M+Na-2H]- 194.04347 138.5
[M]+ 173.06825 135.2
[M]- 173.06935 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