CID 137838118

2-(1-aminoethyl)pentanedioic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO4
SMILES
CC(C(CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C7H13NO4/c1-4(8)5(7(11)12)2-3-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)
InChIKey
RBLKBSKKEPZGCM-UHFFFAOYSA-N
Compound name
2-(1-aminoethyl)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.08446 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.091736 139.2
[M+Na]+ 198.073678 143.8
[M-H]- 174.077184 136.0
[M+NH4]+ 193.118283 156.9
[M+K]+ 214.047618 143.7
[M+H-H2O]+ 158.081720 134.1
[M+HCOO]- 220.082661 157.3
[M+CH3COO]- 234.098311 179.3
[M+Na-2H]- 196.059126 138.6
[M]+ 175.08391142 136.8
[M]- 175.08500858 136.8
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