CID 153791974

4-(6-aminohexylamino)butanoic acid

Structural Information

Molecular Formula
C10H22N2O2
SMILES
C(CCCNCCCC(=O)O)CCN
InChI
InChI=1S/C10H22N2O2/c11-7-3-1-2-4-8-12-9-5-6-10(13)14/h12H,1-9,11H2,(H,13,14)
InChIKey
VKCYRPQDQOJQSK-UHFFFAOYSA-N
Compound name
4-(6-aminohexylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.16812 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.175396 150.2
[M+Na]+ 225.157338 153.5
[M-H]- 201.160844 147.6
[M+NH4]+ 220.201943 167.6
[M+K]+ 241.131278 151.7
[M+H-H2O]+ 185.165380 143.9
[M+HCOO]- 247.166321 172.2
[M+CH3COO]- 261.181971 189.8
[M+Na-2H]- 223.142786 152.7
[M]+ 202.16757142 149.9
[M]- 202.16866858 149.9
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