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

3
Patents

175.08446 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 139.2
[M+Na]+ 198.07368 143.8
[M-H]- 174.07718 136.0
[M+NH4]+ 193.11828 156.9
[M+K]+ 214.04762 143.7
[M+H-H2O]+ 158.08172 134.1
[M+HCOO]- 220.08266 157.3
[M+CH3COO]- 234.09831 179.3
[M+Na-2H]- 196.05913 138.6
[M]+ 175.08391 136.8
[M]- 175.08501 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