CID 176472480

3-[4-(3-aminopropoxy)butoxy]propanoic acid

Structural Information

Molecular Formula
C10H21NO4
SMILES
C(CCOCCC(=O)O)COCCCN
InChI
InChI=1S/C10H21NO4/c11-5-3-8-14-6-1-2-7-15-9-4-10(12)13/h1-9,11H2,(H,12,13)
InChIKey
DJODATOGFCFXID-UHFFFAOYSA-N
Compound name
3-[4-(3-aminopropoxy)butoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.14706 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.154336 152.0
[M+Na]+ 242.136278 156.1
[M-H]- 218.139784 149.4
[M+NH4]+ 237.180883 169.0
[M+K]+ 258.110218 155.3
[M+H-H2O]+ 202.144320 145.8
[M+HCOO]- 264.145261 173.5
[M+CH3COO]- 278.160911 188.8
[M+Na-2H]- 240.121726 154.4
[M]+ 219.14651142 155.5
[M]- 219.14760858 155.5
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

No patent data available for this compound.